SCHEMBL315752

SCHEMBL315752

COCc1nnc(C2CCN(C(=O)O)CC2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.39
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 2/20 0.37
CCR5 P51681 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR4 Q13639 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
SCHEMBL314745 0.87 L3MBTL1 (0.41) PKMMAPTKMT2APOLBSMN1; SMN2
SCHEMBL315267 0.83 MAPT (0.44) PKMMAPTKMT2APOLBSMN1; SMN2
SCHEMBL316403 0.81 HDAC3 (0.39) PKMMAPTKMT2APOLBSMN1; SMN2
SCHEMBL437505 0.81 PKM (0.39) PKMMAPTKMT2APOLBSMN1; SMN2
SCHEMBL15033291 0.80 PKM (0.38) PKMMAPTKMT2APOLBL3MBTL1
SCHEMBL16400168 0.79 LMNA (0.40) MAPTKMT2APOLBSMN1; SMN2GAA
SCHEMBL314794 0.78 ENPP2 (0.46) PKMMAPTKMT2APOLBSMN1; SMN2
SCHEMBL16400584 0.77 CCR5 (0.43) SMN1; SMN2GAATHRBTP53CCR5
SCHEMBL315417 0.76 ENPP2 (0.48) PKMMAPTKMT2APOLBSMN1; SMN2
SCHEMBL5635587 0.76 TSHR (0.52) MAPTKMT2APOLBSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
CN-1898244-B Triazole derivatives as vasopressin antagonists PFIZER 2011-06-22 CN disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 EP disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 WO disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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 (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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 PKM 4533/4885MAPT 4829/4885KMT2A 3968/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 PKM 2585/4885MAPT 4528/4885KMT2A 1922/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 PKM 1270/4885MAPT 4518/4885KMT2A 1134/4885

“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.