SCHEMBL5342182

SCHEMBL5342182

COc1ccc(C(F)(F)F)cc1C(=CC(=O)N(C(C)C)C(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
PPARA Q07869 5/20 0.41
PPARD Q03181 2/20 0.41
CETP P11597 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
MDM2 Q00987 1/20 0.39
MCHR1 Q99705 2/20 0.39
PPARG P37231 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
AVPR2 P30518 1/20 0.38
GPR27 Q9NS67 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38

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
SCHEMBL5342179 1.00 HTT (0.43) HTTPPARAPPARDCETPAKR1C3
SCHEMBL14387510 0.83 KDR (0.49) HTTRXFP1
SCHEMBL6937344 0.77 SLC6A1 (0.44)
SCHEMBL6937348 0.77 SLC6A1 (0.44)
SCHEMBL5342361 0.76 MAPT (0.54) HTT
SCHEMBL23393372 0.76 HTT (0.49) HTT
SCHEMBL23393374 0.76 HTT (0.49) HTT
SCHEMBL30070797 0.74 HTT (0.50) HTTRXFP1
SCHEMBL21483581 0.74 HTT (0.50) HTTRXFP1
SCHEMBL6934974 0.72 NPSR1 (0.43)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291648-B2 3,3-diphenylpropylamines useful in therapy PFIZER INC. (US) 2007-11-06 US disclosed
US-20060281812-A1 NOVEL 3,3-diphenylpropylamines USEFUL IN THERAPY PHARMACIA & UPJOHN COMPANY LLC 2006-12-14 US disclosed
US-7119121-B2 3,3-diphenylpropylamines useful in therapy PFIZER INC. (US) 2006-10-10 US disclosed
EP-1620389-A1 HALOGEN SUBSTITUTED 3,3-DIPHENYLPROPYLAMINES (TOLTERODINE) HAVING ANTIMUSCARINIC ACTIVITY Pharmacia & Upjohn Company LLC (US) 2006-02-01 EP disclosed
US-20060004106-A1 Novel 3,3-diphenylpropylamines useful in therapy PFIZER INC 2006-01-05 US disclosed
US-20050004223-A1 Novel 3,3-diphenylpropylamines useful in therapy PFIZER INC. 2005-01-06 US disclosed
WO-2004096751-A1 HALOGEN SUBSTITUTED 3,3-DIPHENYLPROPYLAMINES (TOLTERODINE) HAVING ANTIMUSCARINIC ACTIVITY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-11 WO 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 (3 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-20060281812-A1 NOVEL 3,3-diphenylpropylamines USEFUL IN THERAPY QDPR, HRH3, SLC7A1 HTT 1535/4885PPARA 1873/4885PPARD 2474/4885
US-20060004106-A1 Novel 3,3-diphenylpropylamines useful in therapy QDPR, HRH3, SLC7A1 HTT 1535/4885PPARA 1873/4885PPARD 2474/4885
US-20050004223-A1 Novel 3,3-diphenylpropylamines useful in therapy CHRM2, CHRM3, HRH3 HTT 2798/4885PPARA 1558/4885PPARD 1297/4885

“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.