SCHEMBL4484524

SCHEMBL4484524

N#CC(CCCBr)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.56
DRD4 P21917 2/20 0.56
OPRM1 P35372 2/20 0.56
DRD3 P35462 2/20 0.56
CYP2D6 P10635 1/20 0.56
CCR3 P51677 2/20 0.51
KCNA3 P22001 8/20 0.50
ATM Q13315 1/20 0.49
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CCR1 P32246 2/20 0.45

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
SCHEMBL930701 0.88 DRD2 (0.59) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL6258542 0.83 DRD2 (0.68) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL18015780 0.81 DRD2 (0.61) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL8046070 0.81 DRD2 (0.56) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL9911006 0.81 DRD2 (0.56) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL23654620 0.81 DRD2 (0.56) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL11712752 0.79 ATM (0.55) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL18014693 0.79 DRD2 (0.59) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL11626646 0.79 DRD2 (0.50) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL2087472 0.77 DRD2 (0.56) DRD2DRD4OPRM1DRD3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
EP-3052495-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2016-08-10 EP disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 WO disclosed
US-7601734-B2 Such as methyl 5-(3,4-dihydro[1]benzofuro[3,2-c]pyridine-2(1H)-yl)-2,2-bis(4-fluorophenyl)pentanoate, having potent inhibitory effect on binding of alpha 2C-adrenoceptor; depression, anxiety, schizophrenia TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-10-13 US disclosed
US-20070244145-A1 Cyclic Amine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-10-18 US disclosed
EP-1757605-A1 CYCLIC AMINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-02-28 EP disclosed
EP-1219294-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-1997024325-A1 DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed
US-5302595-A Muscarinic receptor antagonists PFIZER INC. (US) 1994-04-12 US disclosed
US-5219871-A MUSCARINIC RECEPTOR ANTAGONISTS PFIZER INC. (US) 1993-06-15 US disclosed
EP-0364123-B1 MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1991-06-12 EP disclosed
EP-0364123-A1 Muscarinic receptor antagonists Pfizer Limited (GB) 1990-04-18 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 DRD2 3538/4885DRD4 4063/4885OPRM1 2280/4885
US-20070244145-A1 Cyclic Amine Compound ADRA2C, ADRB2, NR2C2 DRD2 69/4885DRD4 244/4885OPRM1 120/4885

“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.