SCHEMBL888676

SCHEMBL888676

CC(C)C(=O)c1ncco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.42
CES1 P23141 3/20 0.40
CHRNA4 P43681 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
NCEH1 Q6PIU2 1/20 0.37
FFAR1 O14842 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35

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
SCHEMBL16486853 0.84 ELANE (0.40) FAAHCES1CHRNA4CHRNB2CHRNB4
SCHEMBL16486852 0.84 ELANE (0.40) FAAHCES1CHRNA4CHRNB2CHRNB4
SCHEMBL5160534 0.82 CES1 (0.39) FAAHCES1CHRNA4CHRNB2CHRNB4
SCHEMBL5954889 0.76 FAAH (0.41) FAAHCES1CHRNA4CHRNB2CHRNB4
SCHEMBL5954893 0.76 FAAH (0.41) FAAHCES1CHRNA4CHRNB2CHRNB4
SCHEMBL248292 0.76
SCHEMBL1231949 0.75 FAAH (0.47) FAAHCES1CHRNA4CHRNB2CHRNB4
SCHEMBL24848645 0.75 NPC1 (0.41) FAAHCES1CHRNA4CHRNB2CHRNB4
SCHEMBL28322113 0.75 FAAH (0.45) FAAHCES1CHRNA4CHRNB2CHRNB4
SCHEMBL287187 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor LIFEARC (GB) 2024-07-18 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-20230013585-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2023-01-19 US disclosed
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 US disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 US disclosed
US-20210332057-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-10-28 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 WO disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 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 (15 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-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor DCK, ERCC2, POLK FAAH 4618/4885CES1 2799/4885CHRNA4 4772/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS FAAH 2470/4885CES1 48/4885CHRNA4 4801/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FAAH 3364/4885CES1 70/4885CHRNA4 4740/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS FAAH 3364/4885CES1 70/4885CHRNA4 4740/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 FAAH 3517/4885CES1 161/4885CHRNA4 4779/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L FAAH 2965/4885CES1 79/4885CHRNA4 4777/4885
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL FAAH 1389/4885CES1 196/4885CHRNA4 4885/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL FAAH 1366/4885CES1 198/4885CHRNA4 4885/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 FAAH 3517/4885CES1 161/4885CHRNA4 4779/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 FAAH 2357/4885CES1 21/4885CHRNA4 4831/4885
US-20210332057-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF BTK, LCK, SYK FAAH 2984/4885CES1 1244/4885CHRNA4 4696/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FAAH 3364/4885CES1 70/4885CHRNA4 4740/4885
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL FAAH 1389/4885CES1 196/4885CHRNA4 4885/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV FAAH 1269/4885CES1 187/4885CHRNA4 4885/4885
US-20230013585-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK FAAH 4701/4885CES1 1984/4885CHRNA4 4684/4885

“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.