SCHEMBL9963298

SCHEMBL9963298

CC(C)N1CCC2(CCCO2)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HRH3 Q9Y5N1 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL15960703 0.94 KCNH2 (0.41) CYP2D6KCNH2CYP11B1CYP11B2HRH3
SCHEMBL24951670 0.90 CYP2D6 (0.35) CYP2D6KCNH2HRH3
SCHEMBL15960697 0.89 CYP2D6 (0.39) CYP2D6HRH3
SCHEMBL15960708 0.88 RORC (0.33) CYP2D6KCNH2CYP11B1CYP11B2
SCHEMBL25081710 0.85 CYP2D6 (0.37) CYP2D6
SCHEMBL15960715 0.82 KCNH2 (0.36) CYP2D6KCNH2
SCHEMBL15960712 0.81 SMN1; SMN2 (0.32)
SCHEMBL9963383 0.80 RORC (0.31)
SCHEMBL8064563 0.78 CYP2D6 (0.41) CYP2D6HRH3
SCHEMBL12267734 0.78 CYP2D6 (0.35) CYP2D6HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
EP-4393919-A1 LSD1 MODULATORS Exscientia Al Limited (GB) 2024-07-03 EP disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
WO-2023154766-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-9353123-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-9353122-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20160002254-A1 Therapeutic Compounds and Uses Thereof KALA PHARMACEUTICALS, INC. (US) 2016-01-07 US disclosed
WO-2015019365-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2015-02-12 WO disclosed
US-20140235634-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-20140235657-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-20130231321-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-09-05 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
WO-2011050063-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-28 WO 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 (8 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-20140235657-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 CYP2D6 1098/4885KCNH2 3015/4885CYP11B1 238/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 CYP2D6 4405/4885KCNH2 4661/4885CYP11B1 2383/4885
US-20130231321-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 CYP2D6 103/4885KCNH2 503/4885CYP11B1 183/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CYP2D6 1147/4885KCNH2 409/4885CYP11B1 219/4885
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS CYP2D6 3131/4885KCNH2 4497/4885CYP11B1 2069/4885
US-20140235634-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 CYP2D6 419/4885KCNH2 3314/4885CYP11B1 149/4885
US-20160002254-A1 Therapeutic Compounds and Uses Thereof PCSK9, CFTR, SLC10A1 CYP2D6 256/4885KCNH2 3197/4885CYP11B1 18/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS CYP2D6 3131/4885KCNH2 4497/4885CYP11B1 2069/4885

“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.