SCHEMBL5160839

SCHEMBL5160839

CN1CCN(c2ccccc2CCNC(=O)c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.53
DRD3 P35462 7/20 0.53
DRD4 P21917 5/20 0.53
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
HTR1A P08908 2/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL5160955 0.90 HTR1A (0.60) DRD2DRD3DRD4MAPK1HTR1A
SCHEMBL5160692 0.90 HTR1A (0.59) HTR1ARAB9A
SCHEMBL6660894 0.88 HCN1 (0.53) DRD2DRD3DRD4POLBMAPK1
SCHEMBL5160732 0.85 NPC1 (0.51) DRD2DRD3DRD4POLBRAB9A
Hydrochloric Acid SCHEMBL6664273 0.83 NPC1 (0.49) DRD2DRD3DRD4POLBRAB9A
SCHEMBL6662366 0.83 NPC1 (0.52) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL6110809 0.81 DRD2 (0.43) DRD2DRD3DRD4POLBMAPK1
SCHEMBL7875925 0.81 DRD2 (0.54) DRD2DRD3DRD4POLBHTR1A
SCHEMBL7871309 0.81 DRD2 (0.56) DRD2DRD3DRD4RAB9ANPC1
SCHEMBL6110822 0.81 DRD2 (0.42) DRD2DRD3DRD4POLBMAPK1

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 DRD2 49/4885DRD3 442/4885DRD4 403/4885
US-20050182049-A1 Combination of gamma-aminobutyric acid modulators and 5-HT1B receptor antagonists HTR1B, HTR2B, HTR2A DRD2 259/4885DRD3 1180/4885DRD4 1208/4885
US-20050171095-A1 Combination of CRF antagonists and 5-HT1B receptor antagonists HTR2B, HTR1B, HTR3B DRD2 103/4885DRD3 480/4885DRD4 743/4885

“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.