SCHEMBL888876

SCHEMBL888876

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
PAOX Q6QHF9 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
HTR1A P08908 1/20 0.39
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.37
CYP2C19 P33261 1/20 0.36

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
SCHEMBL27397549 0.92 SIGMAR1 (0.55) SIGMAR1ALDH1A1TSHRPAOXKDM4E
SCHEMBL20438446 0.91 PIK3CD (0.40) SIGMAR1ALDH1A1
SCHEMBL20665990 0.88 SIGMAR1 (0.36) SIGMAR1ALDH1A1TSHRPAOXKDM4E
SCHEMBL16258898 0.85 SIGMAR1 (0.44) SIGMAR1ALDH1A1TSHRPAOXKDM4E
SCHEMBL21653737 0.83 SIGMAR1 (0.42) SIGMAR1ALDH1A1TSHRPAOXKDM4E
SCHEMBL27397723 0.83 CYP2D6 (0.41) SIGMAR1ALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL24220956 0.83 HSD17B10 (0.47) SIGMAR1ALDH1A1KDM4ETDP1
SCHEMBL21764427 0.83 HSD17B10 (0.47) SIGMAR1ALDH1A1KDM4ETDP1
SCHEMBL20202265 0.83 HSD17B10 (0.47) SIGMAR1ALDH1A1KDM4ETDP1
SCHEMBL10284339 0.83 HSD17B10 (0.47) SIGMAR1ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691972-B2 Compounds for targeted degradation of BRD9 C4 THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-20230146870-A1 METHOD TO QUANTIFY AFFINITY AND SELECTIVITY OF SMALL MOLECULES FOR PROTEINS IN LIVING CELLS OHIO STATE INNOVATION FOUNDATION 2023-05-11 US disclosed
EP-3497094-B1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-02-15 EP disclosed
WO-2022123462-A1 RADIOLABELLED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2022-06-16 WO disclosed
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
WO-2021154669-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 WO disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
WO-2021097299-A1 METHODS AND COMPOSITIONS FOR SMOKING CESSATION BEHAVIORAL DIAGNOSTICS, LLC (US) 2021-05-20 WO disclosed
US-10947214-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-10934280-B2 Condensed thiophene derivatives useful as NaPi-IIb inhibitors ELI LILLY AND COMPANY (US) 2021-03-02 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS 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-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN AEGERA THERAPEUTICS INC. (CA) 2009-07-02 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20090036357-A1 Azapeptide derivatives CONCERT PHARMACEUTICALS, INC. (US) 2009-02-05 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20070112043-A1 Acylated and non-acylated imidazo[2,1-b]-1,3,4,-thiadiazole-2-sulfonamides, and uses thereof AEGERA THERAPEUTICS, INC. (CA) 2007-05-17 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-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN SCN1B, SCN3A, SCN1A SIGMAR1 47/4885ALDH1A1 658/4885TSHR 1370/4885
US-20070112043-A1 Acylated and non-acylated imidazo[2,1-b]-1,3,4,-thiadiazole-2-sulfonamides, and uses thereof AADAC, NAT1, PMP22 SIGMAR1 180/4885ALDH1A1 132/4885TSHR 2054/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SIGMAR1 1110/4885ALDH1A1 1144/4885TSHR 4635/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SIGMAR1 1110/4885ALDH1A1 1144/4885TSHR 4635/4885
US-10934280-B2 Condensed thiophene derivatives useful as NaPi-IIb inhibitors SLC34A2, ALPI, SLC34A1 SIGMAR1 2354/4885ALDH1A1 3142/4885TSHR 2507/4885
US-20090036357-A1 Azapeptide derivatives SAMHD1, ENTPD5, DNPEP SIGMAR1 4472/4885ALDH1A1 3218/4885TSHR 4817/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 SIGMAR1 1575/4885ALDH1A1 2100/4885TSHR 655/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 SIGMAR1 1575/4885ALDH1A1 2100/4885TSHR 655/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 SIGMAR1 2209/4885ALDH1A1 287/4885TSHR 4730/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 SIGMAR1 1216/4885ALDH1A1 365/4885TSHR 4687/4885
US-10947214-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 SIGMAR1 581/4885ALDH1A1 2465/4885TSHR 744/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SIGMAR1 1110/4885ALDH1A1 1144/4885TSHR 4635/4885
US-11691972-B2 Compounds for targeted degradation of BRD9 BRD9, BRD1, BRWD1 SIGMAR1 4538/4885ALDH1A1 4230/4885TSHR 3023/4885

“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.