SCHEMBL2629481

SCHEMBL2629481

CC(C)(C)OC(=O)N1CCC(O)(c2cccnc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
LMNA P02545 2/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PKM P14618 1/20 0.56
CYP2D6 P10635 1/20 0.55
HPGD P15428 1/20 0.55
GPR119 Q8TDV5 2/20 0.55
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NAMPT P43490 1/20 0.52
POLB P06746 2/20 0.49
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
GBA1 P04062 1/20 0.47

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
SCHEMBL640760 0.93 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2277942 0.93 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7694218 0.87 GPR119 (0.51) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL29814510 0.87 GPR119 (0.51) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL30017524 0.86 GPR119 (0.54) ALDH1A1LMNAGPR119CYP3A4NAMPT
SCHEMBL26633633 0.86 GPR119 (0.54) ALDH1A1LMNAGPR119CYP3A4NAMPT
SCHEMBL25269330 0.86 GPR119 (0.48) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL30488179 0.86 GPR119 (0.48) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3591849 0.85 GPR119 (0.53) ALDH1A1LMNAMEN1KMT2AGPR119
SCHEMBL701615 0.84 GPR119 (0.52) GPR119CYP2C9NAMPTPOLBOPRD1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 EP disclosed
EP-2356101-B1 PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2013-02-27 EP disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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 (3 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-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 ALDH1A1 2169/4885LMNA 2053/4885MEN1 1549/4885
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS ALDH1A1 2375/4885LMNA 3222/4885MEN1 4037/4885
US-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 ALDH1A1 1956/4885LMNA 2572/4885MEN1 2417/4885

“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.