SCHEMBL9944882

SCHEMBL9944882

CCNc1cc(N2CCC(C)(O)CC2)c(C(=O)N[C@H]2CC[C@H](C)CC2)cc1N

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
BMPR1B O00238 5/20 0.37
BMPR1A P36894 5/20 0.37
TGFBR1 P36897 5/20 0.37
ACVRL1 P37023 5/20 0.37
ACVR1 Q04771 5/20 0.37
CNR2 P34972 7/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
CNR1 P21554 6/20 0.36
HTR4 Q13639 1/20 0.35
PTGES O14684 1/20 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
SCHEMBL9944886 0.89 RAB9A (0.39) NPC1RAB9ABMPR1BBMPR1ATGFBR1
SCHEMBL9947029 0.89 PTGES (0.44) PTGES
SCHEMBL9944881 0.85 ALDH1A1 (0.42)
SCHEMBL9944894 0.83 PTGES (0.38) NPC1RAB9ABMPR1BBMPR1ATGFBR1
SCHEMBL9944884 0.83 NPC1 (0.38) NPC1RAB9ACNR2TAS1R3TAS1R1
SCHEMBL9944950 0.81 RAB9A (0.40) NPC1RAB9ACNR2TAS1R3TAS1R1
SCHEMBL9946850 0.79 PTGES (0.47) PTGES
SCHEMBL9945027 0.79 NPC1 (0.39) NPC1RAB9ACNR2TAS1R3TAS1R1
SCHEMBL9945016 0.79 NPC1 (0.39) NPC1RAB9ACNR2TAS1R3TAS1R1
SCHEMBL9944898 0.79 RAB9A (0.40) NPC1RAB9ABMPR1BBMPR1ATGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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 (1 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES NPC1 1695/4885RAB9A 1033/4885BMPR1B 1654/4885

“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.