SCHEMBL6840504

SCHEMBL6840504

CN1CCN(CC(=O)C(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.43
PAOX Q6QHF9 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
ALOX15 P16050 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALPL P05186 1/20 0.39
PTBP1 P26599 1/20 0.39
KCNH2 Q12809 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10261319 1.00 ALDH1A1 (0.49) ALDH1A1POLBTSHRPAOXSIGMAR1
SCHEMBL17921358 1.00 ALDH1A1 (0.49) ALDH1A1POLBTSHRPAOXSIGMAR1
SCHEMBL12091395 0.92 ALDH1A1 (0.44) ALDH1A1POLBTSHRPAOXSIGMAR1
SCHEMBL12091394 0.92 ALDH1A1 (0.44) ALDH1A1POLBTSHRPAOXSIGMAR1
SCHEMBL4086161 0.91 ALDH1A1 (0.54) ALDH1A1POLBTSHRSIGMAR1ALOX15
SCHEMBL14328722 0.86 ALDH1A1 (0.40) ALDH1A1POLBTSHRPAOXSIGMAR1
SCHEMBL14328673 0.86 ALDH1A1 (0.40) ALDH1A1POLBTSHRPAOXSIGMAR1
SCHEMBL14328665 0.83 ALDH1A1 (0.49) ALDH1A1POLBALOX15CYP3A4CYP2D6
SCHEMBL22354451 0.83 ALDH1A1 (0.49) ALDH1A1POLBALOX15CYP3A4CYP2D6
SCHEMBL8107007 0.83 ALDH1A1 (0.49) ALDH1A1POLBALOX15CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 US disclosed
US-10934280-B2 Condensed thiophene derivatives useful as NaPi-IIb inhibitors ELI LILLY AND COMPANY (US) 2021-03-02 US disclosed
EP-3497091-B1 CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS LILLY CO ELI (US) 2020-10-07 EP disclosed
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-20200031813-A1 CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS ELI LILLY AND COMPANY 2020-01-30 US disclosed
US-10508111-B2 6-[5-amino-6-(2-ethoxyethoxy)-imidazo[4,5-B]pyridin-3-yl]-nicotinonitrile derivatives and their use as IRAK inhibitors GALAPAGOS NV (BE) 2019-12-17 US disclosed
US-20190276489-A1 PROGESTERONE ANALOGS AND USES RELATED THERETO EMORY UNIVERSITY 2019-09-12 US disclosed
US-10336787-B2 Progesterone analogs and uses related thereto EMORY UNIVERSITY (US) 2019-07-02 US disclosed
EP-1960381-B1 AMINOPHENYLSULFONAMIDE DERIVATIVES AS HIV PROTEASE INHIBITOR JANSSEN SCIENCES IRELAND UC (IE) 2015-06-17 EP disclosed
US-8809337-B2 Carbamoyl derivatives of bicyclic carbonylamino-pyrazoles as prodrugs NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-08-19 US disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110118278-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-19 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
US-7803836-B2 Aminophenylsulfonamide derivatives as HIV protease inhibitor TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-09-28 US disclosed
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-16 US disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor JANSSEN SCIENCES IRELAND UC (IE) 2008-12-11 US disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 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 (13 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-10336787-B2 Progesterone analogs and uses related thereto PGR, SHBG, PGRMC1 ALDH1A1 1224/4885POLB 3395/4885TSHR 492/4885
US-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ALDH1A1 2920/4885POLB 733/4885TSHR 4854/4885
US-10934280-B2 Condensed thiophene derivatives useful as NaPi-IIb inhibitors SLC34A2, ALPI, SLC34A1 ALDH1A1 3142/4885POLB 620/4885TSHR 2507/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP ALDH1A1 2920/4885POLB 733/4885TSHR 4854/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ALDH1A1 2920/4885POLB 733/4885TSHR 4854/4885
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA1, ADORA2A ALDH1A1 360/4885POLB 956/4885TSHR 224/4885
US-20200031813-A1 CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS SLC34A2, ALPI, SLC34A1 ALDH1A1 3142/4885POLB 620/4885TSHR 2507/4885
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB ALDH1A1 1037/4885POLB 2949/4885TSHR 4344/4885
US-10508111-B2 6-[5-amino-6-(2-ethoxyethoxy)-imidazo[4,5-B]pyridin-3-yl]-nicotinonitrile derivatives and their use as IRAK inhibitors IRAK1, IRAK2, IRAK3 ALDH1A1 1360/4885POLB 2718/4885TSHR 2817/4885
US-20190276489-A1 PROGESTERONE ANALOGS AND USES RELATED THERETO PGR, SHBG, PGRMC1 ALDH1A1 1224/4885POLB 3395/4885TSHR 492/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ALDH1A1 132/4885POLB 460/4885TSHR 4619/4885
US-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor DNPEP, NPEPPS, ANPEP ALDH1A1 3182/4885POLB 1710/4885TSHR 4879/4885
US-20110118278-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS DMPK, DCK, MAP3K19 ALDH1A1 2295/4885POLB 3079/4885TSHR 3613/4885

“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.