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SCHEMBL314930

SCHEMBL314930

O=C(c1cccc(Cl)c1)N1CCC(c2nnc(Cn3nccn3)o2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.57
▸ MGLL Q99685 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD11B1 P28845 2/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CCR5 P51681 1/20 0.43

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
SCHEMBL314865 0.88 TP53 (0.54) TP53MGLLPKMADRB2KDM4E
SCHEMBL315951 0.87 TP53 (0.61) TP53MGLLPKMADRB2KDM4E
SCHEMBL315783 0.82 TP53 (0.61) TP53MGLLPKMADRB2CYP2D6
SCHEMBL314636 0.77 TP53 (0.56) TP53MGLLPKMADRB2KDM4E
SCHEMBL316211 0.76 AVPR1A (0.49) TP53MGLLPKMADRB2KDM4E
SCHEMBL316228 0.73 ENPP2 (0.51) TP53MGLLHSD11B1LMNAALDH1A1
SCHEMBL316694 0.72 SMN1; SMN2 (0.55) TP53PKMKDM4E
SCHEMBL315046 0.69 LMNA (0.47) TP53MGLLLMNA
SCHEMBL10726894 0.69 PKM (0.74) MGLLPKMKDM4ELMNAALDH1A1
SCHEMBL23775471 0.68 MGLL (0.67) MGLLPKMADRB2KDM4ECYP2D6

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 12 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
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 TP53 4389/4885MGLL 2004/4885PKM 4533/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 TP53 4843/4885MGLL 4089/4885PKM 1270/4885

“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.