SCHEMBL315815

SCHEMBL315815

NNC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.67
UBE2M P61081 1/20 0.66
DCUN1D1 Q96GG9 1/20 0.66
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HSD11B1 P28845 1/20 0.62
ADRB2 P07550 1/20 0.57
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL314316 0.83 MGLL (0.68) MGLLUBE2MDCUN1D1MEN1KMT2A
SCHEMBL2831686 0.83 EPHX2 (0.66) MGLLMEN1KMT2AHSD11B1ALDH1A1
SCHEMBL23775471 0.82 MGLL (0.67) MGLLUBE2MDCUN1D1MEN1KMT2A
SCHEMBL315755 0.82 MEN1 (0.61) MGLLUBE2MDCUN1D1MEN1KMT2A
SCHEMBL18657561 0.80 UBE2M (1.00) MGLLUBE2MDCUN1D1
SCHEMBL10726894 0.80 PKM (0.74) MGLLMEN1KMT2AALDH1A1
SCHEMBL9500165 0.79 ACHE (0.67) MGLLMEN1KMT2AHSD11B1ALDH1A1
SCHEMBL9500153 0.79 MGLL (0.67) MGLLUBE2MDCUN1D1MEN1KMT2A
SCHEMBL13202940 0.78 MGLL (0.62) MGLLUBE2MDCUN1D1MEN1KMT2A
SCHEMBL32681797 0.78 MGLL (0.85) MGLLUBE2MDCUN1D1

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 13 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-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
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-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 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
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 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
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 2004/4885UBE2M 4163/4885DCUN1D1 4709/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MGLL 4089/4885UBE2M 3737/4885DCUN1D1 4264/4885

“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.