SCHEMBL314745

SCHEMBL314745

CCOCc1nnc(C2CCN(C(=O)O)CC2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.38
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CCR5 P51681 1/20 0.36
KCNH2 Q12809 1/20 0.36
ENPP2 Q13822 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
HDAC3 O15379 1/20 0.35
CYP2C9 P11712 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
SCHEMBL315752 0.87 PKM (0.42) L3MBTL1MAPTKMT2APOLBSMN1; SMN2
SCHEMBL316403 0.84 HDAC3 (0.39) L3MBTL1MAPTKMT2APOLBSMN1; SMN2
SCHEMBL315267 0.81 MAPT (0.44) L3MBTL1MAPTKMT2APOLBSMN1; SMN2
SCHEMBL315783 0.78 TP53 (0.61) KMT2APOLBSMN1; SMN2PKMALDH1A1
SCHEMBL16400168 0.77 LMNA (0.40) MAPTKMT2APOLBSMN1; SMN2GAA
SCHEMBL314794 0.76 ENPP2 (0.46) L3MBTL1MAPTKMT2APOLBSMN1; SMN2
SCHEMBL16400584 0.75 CCR5 (0.43) SMN1; SMN2GAATHRBCCR5KCNH2
SCHEMBL315417 0.74 ENPP2 (0.48) L3MBTL1MAPTKMT2APOLBSMN1; SMN2
SCHEMBL5635587 0.74 TSHR (0.52) L3MBTL1MAPTKMT2APOLBSMN1; SMN2
SCHEMBL10189881 0.72 SMN1; SMN2 (0.52) MAPTKMT2ASMN1; SMN2GAATHRB

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-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
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 (2 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 L3MBTL1 3922/4885MAPT 4829/4885KMT2A 3968/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 L3MBTL1 4863/4885MAPT 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.