SCHEMBL255446

SCHEMBL255446

COc1cc(N2CCNCC2)ccc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.60
CHRNA4 P43681 2/20 0.60
HTR7 P34969 3/20 0.56
ADRB1 P08588 5/20 0.56
HTR3E A5X5Y0 3/20 0.56
HTR3B O95264 3/20 0.56
HTR3A P46098 3/20 0.56
HTR3D Q70Z44 3/20 0.56
HTR3C Q8WXA8 3/20 0.56
SIGMAR1 Q99720 2/20 0.56
HTR1A P08908 2/20 0.55
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
ACVR1 Q04771 3/20 0.50
DRD2 P14416 1/20 0.49
CYP2C19 P33261 1/20 0.49
DRD3 P35462 1/20 0.49
HTR6 P50406 1/20 0.49
ACVR1B P36896 2/20 0.48
TGFBR1 P36897 2/20 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
Hydrochloric Acid SCHEMBL2869885 0.98 CHRNB2 (0.58) CHRNB2CHRNA4HTR7ADRB1HTR3E
Tert-Butyl Formate SCHEMBL28258175 0.87 CHRNB2 (0.48) CHRNB2CHRNA4HTR7ADRB1HTR3E
SCHEMBL361649 0.85 ADRB1 (0.61) CHRNB2CHRNA4HTR7ADRB1HTR3E
SCHEMBL23705839 0.85 ALDH1A1 (0.55) CHRNB2CHRNA4LMNAMAPT
SCHEMBL31091978 0.85 ALDH1A1 (0.55) CHRNB2CHRNA4LMNAMAPT
Hydrochloric Acid SCHEMBL7711565 0.83 ADRB1 (0.59) CHRNB2CHRNA4HTR7ADRB1HTR3E
Hydrochloric Acid SCHEMBL2156292 0.83 ADRB1 (0.59) CHRNB2CHRNA4HTR7ADRB1HTR3E
SCHEMBL807418 0.83 ALDH1A1 (0.58) LMNAMAPT
SCHEMBL2384047 0.82 SIRT6 (0.58) HTR3AACVR1DRD2DRD3HTR6
SCHEMBL10154835 0.82 ADRB1 (0.57) CHRNB2CHRNA4HTR7ADRB1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 EP disclosed
EP-2968316-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2019-08-07 EP disclosed
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2018-02-22 US disclosed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US disclosed
US-20170312273-A1 METHODS OF USING FASN INHIBITORS FORMA THERAPEUTICS, INC. 2017-11-02 US disclosed
US-20170312273-A1 METHODS OF USING FASN INHIBITORS FORMA THERAPEUTICS, INC. 2017-11-02 US disclosed
US-9676721-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2017-06-13 US disclosed
US-9670202-B2 Substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-06 US disclosed
US-9670202-B2 Substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-06 US disclosed
US-6753336-B2 EATING DISORDERS; SEXUAL DISORDERS NEUROGEN CORPORATION 2004-06-22 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US disclosed
EP-1389189-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2004-02-18 EP disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 WO disclosed
EP-1366030-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS Neurogen Corporation (US) 2003-12-03 EP disclosed
US-20030191136-A1 Melanin concentrating hormone receptor ligands NEUROGEN CORPORATION 2003-10-09 US disclosed
US-6569861-B2 Phenylcycloalkylmethylamino and phenylalkenylamino derivatives, including 1-phenyl-2-aminomethylcyclopropanes; treatment of a variety of metabolic, feeding, and sexual disorders including obesity. NEUROGEN CORPORATION 2003-05-27 US disclosed
WO-2002094799-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2002-11-28 WO disclosed
US-20020052383-A1 Melanin concentrating hormone receptor ligands NEUROGEN CORPORATION 2002-05-02 US disclosed
WO-2002004433-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-17 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 (7 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-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD CHRNB2 3004/4885CHRNA4 3264/4885HTR7 3267/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CHRNB2 2154/4885CHRNA4 1666/4885HTR7 3334/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 CHRNB2 2368/4885CHRNA4 2252/4885HTR7 559/4885
US-20170312273-A1 METHODS OF USING FASN INHIBITORS FASN, IL1RN, CCR1 CHRNB2 4314/4885CHRNA4 4513/4885HTR7 3850/4885
US-20020052383-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 CHRNB2 402/4885CHRNA4 408/4885HTR7 119/4885
US-20030191136-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 CHRNB2 383/4885CHRNA4 391/4885HTR7 112/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CHRNB2 2154/4885CHRNA4 1666/4885HTR7 3334/4885

“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.