SCHEMBL5159010

SCHEMBL5159010

CN1CCN(c2ccccc2CCN(Cc2ccc(Cl)cc2)C(=O)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
DRD2 P14416 5/20 0.47
HTR1A P08908 4/20 0.47
HTR2A P28223 4/20 0.47
AVPR1A P37288 3/20 0.47
HTR2C P28335 2/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
C5AR1 P21730 2/20 0.42
RCE1 Q9Y256 1/20 0.42

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
SCHEMBL5158592 0.92 DRD2 (0.47) DRD2HTR1AHTR2AHTR2CHDAC1
SCHEMBL5160922 0.75 NPBWR1 (0.65) NPBWR1MCHR1
Hydrochloric Acid SCHEMBL7960842 0.72 NPBWR1 (0.47) NPBWR1MCHR1DRD2HTR1AAVPR1A
SCHEMBL5160839 0.72 DRD2 (0.53) DRD2HTR1AHTR2AHTR2CDRD4
SCHEMBL5158327 0.72 HCRTR1 (0.43) DRD2HTR1AHTR2AHTR2CDRD4
SCHEMBL7294790 0.71 KMT2A (0.57) DRD2HTR1AHTR2AHTR2CDRD4
SCHEMBL5158297 0.71 NCF1 (0.45) DRD2HTR1AHTR2AHTR2CDRD4
SCHEMBL7284544 0.70 CACNA1G (0.60) NPBWR1MCHR1
SCHEMBL6640315 0.70 NCF1 (0.55) NPBWR1MCHR1DRD2HTR1AHTR2A
SCHEMBL6705802 0.68 MCHR1 (0.69) MCHR1HTR2AC5AR1RCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952154-B1 N-acyl and N-aroyl aralkyl amides PFIZER PROD INC (US) 2004-08-18 EP claimed
US-6323229-B1 COMPOUNDS ARE USEFUL PSYCHOTHERAPEUTICS AND ARE POTENT AGONISTS AND/OR ANTAGONISTS OF THE SEROTONIN 1A (5-HT 1A) AND/OR SEROTONIN 1D (5-HT 1D) FOR TREATMENT OF HYPERTENSION, DEPRESSION, GENERALIZED ANXIETY DISORDER PFIZER INC 2001-11-27 US claimed
EP-0952154-A2 N-acyl and N-aroyl aralkyl amides Pfizer Products Inc. (US) 1999-10-27 EP claimed
EP-1753460-A2 COMBINATION OF ATYPICAL ANTIPSYCHOTICS AND 5-HT1B RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2007-02-21 EP disclosed
EP-1737466-A1 COMBINATION OF y-AMINOBUTYRIC ACID MODULATORS AND 5-HT-1b RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2007-01-03 EP disclosed
EP-1703918-A2 COMBINATION OF CRF ANTAGONISTS AND 5-HT 1B RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2006-09-27 EP disclosed
US-20050256112-A1 Combination of atypical antipsychotics and 5HT-1B receptor antagonists PFIZER INC 2005-11-17 US disclosed
WO-2005107808-A2 COMBINATION OF ATYPICAL ANTIPSYCHOTICS AND 5-HT1B RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-17 WO disclosed
WO-2005082372-A1 COMBINATION OF γ-AMINOBUTYRIC ACID MODULATORS AND 5-HT 1B RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-09-09 WO disclosed
US-20050182049-A1 Combination of gamma-aminobutyric acid modulators and 5-HT1B receptor antagonists PFIZER INC 2005-08-18 US disclosed
US-20050171095-A1 Combination of CRF antagonists and 5-HT1B receptor antagonists PFIZER INC 2005-08-04 US disclosed
WO-2005067973-A2 COMBINATION OF CRF ANTAGONISTS AND 5-HT 1B RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-07-28 WO disclosed
EP-0952154-B1 N-acyl and N-aroyl aralkyl amides PFIZER PROD INC (US) 2004-08-18 EP disclosed
US-6451803-B1 N-acyl and n-aroyl aralkyl amides useful in treating seritonergic disorders PFIZER INC 2002-09-17 US disclosed
US-6323229-B1 COMPOUNDS ARE USEFUL PSYCHOTHERAPEUTICS AND ARE POTENT AGONISTS AND/OR ANTAGONISTS OF THE SEROTONIN 1A (5-HT 1A) AND/OR SEROTONIN 1D (5-HT 1D) FOR TREATMENT OF HYPERTENSION, DEPRESSION, GENERALIZED ANXIETY DISORDER PFIZER INC 2001-11-27 US disclosed
US-6197773-B1 HEADACHES; ANTIDEPRESSANTS PFIZER INC 2001-03-06 US disclosed
EP-0952154-A2 N-acyl and N-aroyl aralkyl amides Pfizer Products Inc. (US) 1999-10-27 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 (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-20050256112-A1 Combination of atypical antipsychotics and 5HT-1B receptor antagonists HTR1B, HTR2B, HTR3B NPBWR1 539/4885MCHR1 380/4885DRD2 49/4885
US-20050182049-A1 Combination of gamma-aminobutyric acid modulators and 5-HT1B receptor antagonists HTR1B, HTR2B, HTR2A NPBWR1 377/4885MCHR1 459/4885DRD2 259/4885
US-20050171095-A1 Combination of CRF antagonists and 5-HT1B receptor antagonists HTR2B, HTR1B, HTR3B NPBWR1 218/4885MCHR1 150/4885DRD2 103/4885

“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.