SCHEMBL4291697

SCHEMBL4291697

c1ccc(CN2CCN[C@H](Cc3c[nH]c4ccccc34)C2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.74
HTR6 P50406 4/20 0.56
BCHE P06276 4/20 0.50
ERAP2 Q6P179 1/20 0.50
CYP2D6 P10635 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
KMT2A Q03164 1/20 0.49
LTA4H P09960 1/20 0.49
ACHE P22303 3/20 0.48

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
SCHEMBL7826925 1.00 TACR1 (0.74) TACR1HTR6BCHEERAP2CYP2D6
SCHEMBL27334561 1.00 TACR1 (0.74) TACR1HTR6BCHEERAP2CYP2D6
SCHEMBL7837195 0.88 TACR1 (0.62) TACR1HTR6BCHECYP2D6DRD2
SCHEMBL7835856 0.88 TACR1 (0.62) TACR1HTR6BCHECYP2D6DRD2
SCHEMBL7835860 0.88 TACR1 (0.62) TACR1HTR6BCHECYP2D6DRD2
SCHEMBL27563868 0.84 TACR1 (0.59) TACR1HTR6BCHEERAP2CYP2D6
SCHEMBL27540861 0.83 TACR1 (0.61) TACR1HTR6BCHECYP2D6
SCHEMBL6100241 0.83 TACR1 (0.54) TACR1HTR6CYP2D6DRD2DRD4
SCHEMBL27426722 0.83 HTR6 (0.61) TACR1HTR6BCHECYP2D6DRD2
SCHEMBL27511374 0.81 TACR1 (0.59) TACR1HTR6BCHECYP2D6DRD2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
CN-1255401-C Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2006-05-10 CN disclosed
US-6924278-B2 Heterocyclic carboxy amines such as (2R)-1-[3,5-Bis(trifluoromethyl)benzoyl]-4-[4-((3S)-3-ethylmorpholino)-2-butynyl]-2-[(1H-indol-3-yl)methyl]piperazine, used as substance P and neurokinin antagonist for prophylaxis of diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 US disclosed
EP-0655442-B1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 EP disclosed
CN-1266431-A Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-13 CN disclosed
US-5883098-A USED AS TACHYKININ ANTAGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND INFLAMMATORY DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed
CN-1041923-C Piperazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1999-02-03 CN disclosed
CN-1191533-A 1-benzoyl-2-(indolyl-3-alkyl)-piperazine derivs. as neurokinin receptor antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-08-26 CN disclosed
EP-0846116-A1 1-BENZOYL-2-(INDOLYL-3-ALKYL)-PIPERAZINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-10 EP disclosed
US-5670505-A TACHYKIKIN ANTAGONIST FOR RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
WO-1996037489-A1 1-BENZOYL-2-(INDOLYL-3-ALKYL)-PIPERAZINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-28 WO disclosed
CN-1107149-A Piperazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-23 CN disclosed
EP-0655442-A1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-31 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TACR1 97/4885HTR6 2808/4885BCHE 997/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TACR1 97/4885HTR6 2808/4885BCHE 997/4885

“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.