SCHEMBL5160105

SCHEMBL5160105

O=C(NCCc1ccccc1N1CCN2CCCC2C1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
CXCR3 P49682 3/20 0.46
NAMPT P43490 1/20 0.44
CCR3 P51677 1/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
PLD2 O14939 1/20 0.42
PLD1 Q13393 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
DHODH Q02127 1/20 0.41
SMYD2 Q9NRG4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CCR2 P41597 1/20 0.41
HIF1A Q16665 1/20 0.40

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
SCHEMBL5160732 0.80 NPC1 (0.51) NAMPTPOLBNPC1LMNARAB9A
SCHEMBL5163040 0.80 NPC1 (0.45) TAAR1NAMPTPOLBTP53MAPT
Hydrochloric Acid SCHEMBL6664273 0.79 NPC1 (0.49) NAMPTPOLBNPC1LMNARAB9A
SCHEMBL5160115 0.77 NPC1 (0.45) TAAR1NAMPTPOLBTP53MAPT
SCHEMBL5160182 0.75 NPC1 (0.49) TAAR1NAMPTPOLBMAPTNPC1
SCHEMBL5160705 0.73 NPC1 (0.48) TAAR1NAMPTPOLBMAPTNPC1
SCHEMBL5164201 0.71 OPRM1 (0.55) TAAR1NAMPTPOLBMAPTNPC1
SCHEMBL5160283 0.70 HTR1A (0.48) MAPTNPC1RAB9A
SCHEMBL4075205 0.70 CXCR3 (0.47) CXCR3MAPTCCR2HIF1A
SCHEMBL14112448 0.70 PLD2 (0.56) CXCR3CCR3POLBTP53MAPT

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 14 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
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
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 (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-20050182049-A1 Combination of gamma-aminobutyric acid modulators and 5-HT1B receptor antagonists HTR1B, HTR2B, HTR2A TAAR1 75/4885CXCR3 2019/4885NAMPT 4597/4885
US-20050171095-A1 Combination of CRF antagonists and 5-HT1B receptor antagonists HTR2B, HTR1B, HTR3B TAAR1 84/4885CXCR3 660/4885NAMPT 4530/4885

“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.