SCHEMBL2595525

SCHEMBL2595525

Cc1ccc2[nH]c(C3CN(C(=O)O)C3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.48
USP2 O75604 1/20 0.46
LMNA P02545 3/20 0.45
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 6/20 0.43
PDE10A Q9Y233 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL9994835 0.84 HTR2B (0.50) HTR2BLMNAPDE10AGAA
SCHEMBL2595653 0.83 BACE1 (0.45) HTR2BNPC1RAB9AMAPK1ALDH1A1
SCHEMBL2590023 0.81 HTR2B (0.47) HTR2BPDE10A
SCHEMBL19824770 0.78 NPC1 (0.65) NPC1RAB9AALDH1A1USP2LMNA
SCHEMBL13413905 0.77 NPC1 (0.78) NPC1RAB9AALDH1A1LMNACYP1A2
SCHEMBL2595635 0.76 NPC1 (0.54) NPC1RAB9AMAPK1ALDH1A1USP2
Hydrochloric Acid SCHEMBL9994949 0.75 NPC1 (0.52) NPC1RAB9AMAPK1ALDH1A1USP2
SCHEMBL17109171 0.74 USP2 (0.49) HTR2BNPC1RAB9AALDH1A1USP2
SCHEMBL23010592 0.74 NPC1 (0.56) NPC1RAB9AALDH1A1USP2LMNA
SCHEMBL12026558 0.73 PDE10A (0.44) NPC1RAB9AALDH1A1LMNACYP1A2

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-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
EP-2569299-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143129-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-11-17 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-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS HDAC10, PDE10A, PDE9A HTR2B 150/4885NPC1 1574/4885RAB9A 295/4885

“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.