SCHEMBL315417

SCHEMBL315417

O=C(O)N1CCC(c2nnc(CN3CCOCC3)o2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.48
HTT P42858 2/20 0.44
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 2/20 0.37
LRRK2 Q5S007 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL5217057 0.83 SMN1; SMN2 (0.52) ENPP2MAPTGAAALDH1A1THRB
SCHEMBL315267 0.81 MAPT (0.44) ENPP2HTTKMT2APOLBMAPT
SCHEMBL16400168 0.77 LMNA (0.40) ENPP2HTTKMT2APOLBMAPT
SCHEMBL315752 0.76 PKM (0.42) HTTKMT2APOLBMAPTGAA
SCHEMBL314794 0.76 ENPP2 (0.46) ENPP2HTTKMT2APOLBMAPT
SCHEMBL314745 0.74 L3MBTL1 (0.41) ENPP2HTTKMT2APOLBMAPT
SCHEMBL5635587 0.74 TSHR (0.52) HTTKMT2APOLBMAPTGAA
SCHEMBL16400584 0.72 CCR5 (0.43) ENPP2GAATHRBSMN1; SMN2HRH3
SCHEMBL19899507 0.72 SMN1; SMN2 (0.37) HTTKMT2APOLBMAPTGAA
SCHEMBL316403 0.72 HDAC3 (0.39) ENPP2HTTKMT2APOLBMAPT

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 ENPP2 292/4885HTT 2270/4885KMT2A 3968/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 ENPP2 201/4885HTT 3134/4885KMT2A 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.