SCHEMBL315732

SCHEMBL315732

O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2nnc(Cn3nccn3)n2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.52
RHOC P08134 3/20 0.43
RHOA P61586 3/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD11B1 P28845 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SLC9A1 P19634 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
AVPR1A P37288 1/20 0.40
SLC6A7 Q99884 1/20 0.40
LSS P48449 1/20 0.40
AKR1C3 P42330 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
TEAD1 P28347 1/20 0.39
STAT3 P40763 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL314967 0.94 AKR1C3 (0.45) MGLLMEN1TSHRKMT2AAVPR1A
SCHEMBL316326 0.91 MGLL (0.53) MGLLRHOCRHOAHSD11B1HPGD
SCHEMBL10189997 0.89 AVPR1A (0.47) MGLLHSD11B1MEN1TSHRKMT2A
SCHEMBL315469 0.89 AKR1C3 (0.41) MGLLHSD11B1MEN1TSHRKMT2A
SCHEMBL315548 0.87 MGLL (0.41) MGLLHSD11B1AVPR1A
SCHEMBL314612 0.86 MGLL (0.43) MGLLHSD11B1TSHRAVPR1ALSS
SCHEMBL316362 0.85 MGLL (0.51) MGLLAVPR1A
SCHEMBL316413 0.85 MGLL (0.42) MGLLHSD11B1AVPR1ALSSAKR1C3
SCHEMBL316211 0.85 AVPR1A (0.49) MGLLHSD11B1AVPR1AEGLN1
SCHEMBL315444 0.84 MGLL (0.51) MGLLGAATDP1HSD11B1TSHR

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-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US claimed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US claimed
JP-2007515468-A 2007-06-14 JP claimed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP claimed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO claimed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US claimed
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 2004/4885RHOC 2950/4885RHOA 2060/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MGLL 4089/4885RHOC 799/4885RHOA 249/4885

“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.