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SCHEMBL315544

SCHEMBL315544

O=C(NNC(=O)C(F)(F)F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RHOC P08134 2/20 0.61
▸ RHOA P61586 2/20 0.61
▸ MGLL Q99685 11/20 0.61
▸ EPHX2 P34913 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ HSD11B1 P28845 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ UBE2M P61081 1/20 0.54
▸ DCUN1D1 Q96GG9 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 0.79 MGLL (0.68) RHOCRHOAMGLLEPHX2MAPT
SCHEMBL315248 0.76 MGLL (0.57) RHOCRHOAMGLLEPHX2MAPT
SCHEMBL12803515 0.76 RHOC (1.00) RHOCRHOAMGLLSMN1; SMN2MEN1
SCHEMBL23086080 0.76 MGLL (1.00) RHOCRHOAMGLLMAPTSMN1; SMN2
SCHEMBL1534281 0.75 MAPT (1.00) MGLLEPHX2MAPTHSD11B1MEN1
SCHEMBL29157427 0.73 KMT2A (0.80) SMN1; SMN2MEN1KMT2A
SCHEMBL22116994 0.73 POLB (0.61) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14825109 0.72 UBE2M (0.79) RHOCRHOAMGLLMAPTSMN1; SMN2
SCHEMBL23086077 0.72 MGLL (1.00) RHOCRHOAMGLLSMN1; SMN2MEN1
SCHEMBL6212091 0.72 MGLL (1.00) MGLLHSD11B1MEN1KMT2A

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 11 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
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 RHOC 2950/4885RHOA 2060/4885MGLL 2004/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 RHOC 799/4885RHOA 249/4885MGLL 4089/4885

“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.