SCHEMBL5160732

SCHEMBL5160732

CN1CCN(c2ccccc2CCNC(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
DRD2 P14416 8/20 0.50
DRD4 P21917 7/20 0.50
DRD3 P35462 7/20 0.50
ADRA1A P35348 2/20 0.50
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
HPGD P15428 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SMYD2 Q9NRG4 1/20 0.47
NAMPT P43490 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL6664273 0.98 NPC1 (0.49) NPC1LMNARAB9ADRD2DRD4
SCHEMBL5160839 0.85 DRD2 (0.53) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5160115 0.83 NPC1 (0.45) NPC1LMNARAB9ADRD2DRD4
SCHEMBL5160955 0.83 HTR1A (0.60) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5160182 0.83 NPC1 (0.49) NPC1LMNARAB9AOPRM1OPRK1
SCHEMBL5163040 0.82 NPC1 (0.45) NPC1LMNARAB9ADRD2DRD4
SCHEMBL6660894 0.81 HCN1 (0.53) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5160692 0.81 HTR1A (0.59) RAB9AADRA1A
SCHEMBL5164201 0.81 OPRM1 (0.55) NPC1LMNARAB9AOPRM1OPRK1
SCHEMBL5163192 0.81 DRD2 (0.47) NPC1RAB9ADRD2DRD4DRD3

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 18 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
JP-2000026385-A N-ACYL AND N-AROYLARALKYLAMIDES PFIZER PROD INC 2000-01-25 JP 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 NPC1 1223/4885LMNA 3551/4885RAB9A 801/4885
US-20050182049-A1 Combination of gamma-aminobutyric acid modulators and 5-HT1B receptor antagonists HTR1B, HTR2B, HTR2A NPC1 1943/4885LMNA 3417/4885RAB9A 1199/4885
US-20050171095-A1 Combination of CRF antagonists and 5-HT1B receptor antagonists HTR2B, HTR1B, HTR3B NPC1 1251/4885LMNA 4235/4885RAB9A 598/4885

“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.