SCHEMBL6448648

SCHEMBL6448648

CC(C)(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 9/20 1.00
CYP3A4 P08684 2/20 0.62
KDM4E B2RXH2 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
PDE10A Q9Y233 1/20 0.59
POLB P06746 1/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PTGER4 P35408 1/20 0.59
MAPT P10636 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
GFER P55789 1/20 0.57
DHODH Q02127 1/20 0.57
NPC1 O15118 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL7684676 0.85 TACR3 (0.74) TACR3CYP3A4KDM4ESMN1; SMN2LMNA
SCHEMBL7684672 0.85 TACR3 (0.74) TACR3CYP3A4KDM4ESMN1; SMN2LMNA
SCHEMBL6996803 0.81 TACR3 (0.68) TACR3CYP3A4KDM4ESMN1; SMN2LMNA
SCHEMBL14623959 0.81 TACR3 (0.72) TACR3CYP3A4KDM4ESMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6969107 0.80 TACR3 (0.71) TACR3CYP3A4KDM4ESMN1; SMN2LMNA
SCHEMBL14133006 0.78 TACR3 (0.72) TACR3CYP3A4KDM4ESMN1; SMN2LMNA
SCHEMBL14970875 0.77 CYP3A4 (1.00) TACR3CYP3A4KDM4ESMN1; SMN2LMNA
SCHEMBL6209856 0.76 KDM4E (0.76) TACR3CYP3A4KDM4ESMN1; SMN2LMNA
Cinchophen SCHEMBL25519 0.76 KDM4E (1.00) KDM4ESMN1; SMN2LMNAPDE10APOLB
Cinchophen SCHEMBL29376617 0.76 KDM4E (1.00) KDM4ESMN1; SMN2LMNAPDE10APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP claimed
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 US claimed
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO claimed
US-20030236281-A1 Quinoline derivatives(2) FARINA CARLO (IT) 2003-12-25 US claimed
US-6608083-B1 Treatment and/or prophylaxis of convulsive disorders, renal disorders, urinary incontinence, ocular inflammation, eating disorders, inflammatory pain, allergic rhinitis, psoriasis,neurodegenerative disorders, Huntington's disease, SMITHKLINE BEECHAM FARMACEUTICI S.P.A (IT) 2003-08-19 US claimed
EP-1192952-A2 Combination, for treating depression and anxiety, containing an NK-3 receptor antagonist and a CNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-04-03 EP claimed
EP-0940391-A2 Quinoline derivatives as tachykinin NK3 receptor antagonists Smithkline Beecham Farmaceutici S.p.A. (IT) 1999-09-08 EP claimed
EP-0804419-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS SmithKline Beecham Farmaceutici S.p.A. (IT) 1997-11-05 EP claimed
WO-1995032948-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-12-07 WO claimed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
EP-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP disclosed
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 US disclosed
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO disclosed
EP-1192952-A2 Combination, for treating depression and anxiety, containing an NK-3 receptor antagonist and a CNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-04-03 EP 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-20040006135-A1 Combination treatment for depression and anxiety TACR1, NPSR1, HTR3A TACR3 86/4885CYP3A4 2130/4885KDM4E 2767/4885
US-20030236281-A1 Quinoline derivatives(2) KCNQ3, CHRNA3, KCNK3 TACR3 31/4885CYP3A4 695/4885KDM4E 3770/4885

“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.