SCHEMBL2633490

SCHEMBL2633490

CCN1CCC2(CC1)CCN(C1CCC1)CC2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 4/20 0.37
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL2633463 0.92 KMT2A (0.39) POLBKMT2AHRH3TSHRKDM4E
SCHEMBL13180780 0.91 TSHR (0.39) POLBKMT2AHRH3TSHRPKM
SCHEMBL2633461 0.87 KMT2A (0.36) KMT2AHRH3TSHROPRL1ALOX15
SCHEMBL13168226 0.85 KMT2A (0.39) KMT2AHRH3TSHRALOX15
SCHEMBL27267682 0.81 KMT2A (0.42) KMT2AHRH3TSHRTLR7
SCHEMBL23732169 0.81 KMT2A (0.46) KMT2AOPRM1OPRL1TLR7
SCHEMBL27291235 0.80 KMT2A (0.41) KMT2ATSHRTLR7
SCHEMBL19098614 0.79 TSHR (0.46) KMT2ATSHROPRM1OPRL1KDM4E
SCHEMBL25924649 0.79 TSHR (0.42) KMT2ATSHRKDM4EGAAALOX15
SCHEMBL24235267 0.78 TSHR (0.41) KMT2AHRH3TSHRKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL 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-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 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 (4 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-20100152158-A1 Substituted Disulfonamide Compounds BDKRB1, BDKRB2, BRS3 POLB 3390/4885KMT2A 2575/4885HRH3 32/4885
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 POLB 3887/4885KMT2A 2855/4885HRH3 133/4885
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS POLB 98/4885KMT2A 2453/4885HRH3 247/4885
US-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B POLB 3022/4885KMT2A 2897/4885HRH3 225/4885

“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.