SCHEMBL9891842

SCHEMBL9891842

CC(C)N1CCCC1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15471353 1.00 CYP2D6 (0.31) CYP2D6KCNH2HRH3
SCHEMBL21725597 1.00 CYP2D6 (0.31) CYP2D6KCNH2HRH3
SCHEMBL12356619 0.93 CYP2D6 (0.30) CYP2D6KCNH2HRH3
SCHEMBL9891502 0.86 CYP2D6 (0.32) CYP2D6KCNH2HRH3
SCHEMBL18673979 0.83
SCHEMBL23219749 0.83 LMNA (0.31)
SCHEMBL16767996 0.83 LMNA (0.31)
SCHEMBL20355537 0.83
SCHEMBL21725589 0.83
SCHEMBL13886062 0.83 LMNA (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239813-A1 KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2024-07-18 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
WO-2023154528-A1 STEREOSELECTIVE TECHNOLOGIES FOR CHIRAL COMPOUNDS WAVE LIFE SCIENCES LTD. (SG) 2023-08-17 WO disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-12-15 US disclosed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 US disclosed
US-20220041583-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD (CN) 2022-02-10 US disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 US disclosed
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-27 US disclosed
US-9273082-B2 Substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20140323458-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. 2014-10-30 US disclosed
CN-104080730-A Use of an ionic liquid for storing hydrogen VTU HOLDING GMBH 2014-10-01 CN disclosed
US-8809313-B2 Substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120302538-A1 SUBSITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC (US) 2012-11-29 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R CYP2D6 1931/4885KCNH2 3399/4885HRH3 443/4885
US-20220041583-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THERE OF IL2, TSLP, CD74 CYP2D6 1820/4885KCNH2 4750/4885HRH3 1328/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH CYP2D6 100/4885KCNH2 2548/4885HRH3 243/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R CYP2D6 1931/4885KCNH2 3399/4885HRH3 443/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CYP2D6 100/4885KCNH2 2548/4885HRH3 243/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CYP2D6 1472/4885KCNH2 1907/4885HRH3 236/4885
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors PTPRJ, PTPN5, PTPN1 CYP2D6 3936/4885KCNH2 4249/4885HRH3 4295/4885
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CYP2D6 100/4885KCNH2 2548/4885HRH3 243/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 CYP2D6 1656/4885KCNH2 286/4885HRH3 71/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CYP2D6 212/4885KCNH2 1663/4885HRH3 152/4885
US-20120302538-A1 SUBSITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS HAVCR2, HCCS, AHR CYP2D6 10/4885KCNH2 2432/4885HRH3 3355/4885
US-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 CYP2D6 2179/4885KCNH2 3912/4885HRH3 2532/4885
US-20140323458-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS HAVCR2, HCCS, AHR CYP2D6 12/4885KCNH2 2042/4885HRH3 2732/4885
US-20240239813-A1 KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF KRAS, NRAS, HRAS CYP2D6 2058/4885KCNH2 4693/4885HRH3 3426/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.