SCHEMBL315809

SCHEMBL315809

O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)O)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.67
CYP3A4 P08684 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.64
RHOC P08134 3/20 0.60
RHOA P61586 3/20 0.60
FAAH O00519 1/20 0.59
UBE2M P61081 1/20 0.58
DCUN1D1 Q96GG9 1/20 0.58
YAP1 P46937 1/20 0.58
TEAD4 Q15561 1/20 0.58
PTPN1 P18031 2/20 0.57
PTPN2 P17706 1/20 0.57
TRPV1 Q8NER1 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL14067044 0.87 L3MBTL1 (0.67) MGLLCYP3A4L3MBTL1RHOCRHOA
SCHEMBL16332685 0.86 YAP1 (0.71) FAAHYAP1TEAD4PTPN1PTPN2
SCHEMBL315591 0.85 MGLL (0.51) MGLLCYP3A4L3MBTL1RHOCRHOA
SCHEMBL20955957 0.85 ALDH1A1 (0.66) FAAHYAP1TEAD4PTPN1PTPN2
SCHEMBL1942746 0.84 MEN1 (0.67) MGLLCYP3A4UBE2MDCUN1D1YAP1
SCHEMBL9342656 0.84 KMT2A (0.72) MGLLCYP3A4L3MBTL1FAAHPTPN1
SCHEMBL23246064 0.81 RHOC (0.60) RHOCRHOAUBE2MDCUN1D1YAP1
SCHEMBL8283575 0.81 PTPN2 (0.81) MGLLCYP3A4L3MBTL1RHOCRHOA
SCHEMBL23086080 0.81 MGLL (1.00) MGLLRHOCRHOAUBE2MDCUN1D1
SCHEMBL14626222 0.81 L3MBTL1 (0.63) MGLLCYP3A4L3MBTL1RHOCRHOA

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 6 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
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 MGLL 2004/4885CYP3A4 143/4885L3MBTL1 3922/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MGLL 4089/4885CYP3A4 824/4885L3MBTL1 4863/4885

“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.