SCHEMBL316228

SCHEMBL316228

CCc1nnc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.51
LMNA P02545 3/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
MGLL Q99685 4/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 2/20 0.48
PHGDH O43175 1/20 0.46
FASN P49327 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD11B1 P28845 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL315046 0.88 LMNA (0.47) ENPP2LMNATSHRHTTMGLL
SCHEMBL315401 0.84 MGLL (0.53) ENPP2LMNATSHRHTTMGLL
SCHEMBL316787 0.79 MGLL (0.53) LMNATSHRHTTMGLLMAPT
SCHEMBL315951 0.76 TP53 (0.61) MGLLKMT2AMEN1TP53ALDH1A1
SCHEMBL315783 0.76 TP53 (0.61) MGLLPOLBKMT2AMEN1TP53
SCHEMBL316303 0.76 PHGDH (0.54) LMNATSHRHTTMGLLMAPT
SCHEMBL314865 0.73 TP53 (0.54) LMNAMGLLTP53HSD11B1SMN1; SMN2
SCHEMBL314930 0.73 TP53 (0.57) LMNAMGLLTP53ALDH1A1HSD11B1
SCHEMBL12049735 0.72 L3MBTL1 (0.41) ENPP2HTTMAPTPOLBKMT2A
SCHEMBL2709521 0.72 SMN1; SMN2 (0.55) HTTKMT2AMEN1SMN1; SMN2

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 ENPP2 292/4885LMNA 2443/4885TSHR 577/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 ENPP2 201/4885LMNA 1738/4885TSHR 1559/4885

“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.