SCHEMBL4646480

SCHEMBL4646480

Clc1ccc(-n2c(Cn3nccn3)nnc2-c2cnc3ccccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.39
JAK3 P52333 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
AVPR2 P30518 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
TERT O14746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
GLA P06280 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
SCHEMBL4683406 0.79 AOC3 (0.43) AVPR2OXTRAVPR1AALDH1A1HPGD
SCHEMBL8280791 0.72 GLA (0.44) MAPTNPSR1KDM4EAVPR2OXTR
SCHEMBL8281685 0.71 GLA (0.64) SMN1; SMN2NPSR1KDM4EAVPR2OXTR
SCHEMBL4882083 0.70 MAPT (0.42) MAPTKDM4EALDH1A1GLAHPGD
SCHEMBL316709 0.70 TLR8 (0.60) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL708043 0.67 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL30139982 0.67 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL28050798 0.65 PDE10A (0.58) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL4876933 0.65 AVPR2 (0.33) AVPR2OXTRAVPR1ACYP1A2CYP3A4
SCHEMBL8279831 0.64 GLA (0.48) SMN1; SMN2NPSR1KDM4EAVPR2OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US claimed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
EP-1885713-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-02-13 EP disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 WO 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 NPC1 1204/4885RAB9A 402/4885SMN1; SMN2 2757/4885

“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.