SCHEMBL5164201

SCHEMBL5164201

CN1CCC(c2ccccc2CCNC(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.55
OPRK1 P41145 2/20 0.55
OPRL1 P41146 1/20 0.55
CCR2 P41597 1/20 0.52
DHODH Q02127 1/20 0.52
TAAR1 Q96RJ0 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
PLD2 O14939 1/20 0.46
PLD1 Q13393 1/20 0.46
KCNH2 Q12809 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
NAMPT P43490 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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 0.81 NPC1 (0.51) OPRM1OPRK1OPRL1NPC1LMNA
Hydrochloric Acid SCHEMBL6664273 0.79 NPC1 (0.49) OPRM1OPRK1OPRL1NPC1LMNA
SCHEMBL5160182 0.77 NPC1 (0.49) OPRM1OPRK1OPRL1TAAR1NPC1
SCHEMBL5163040 0.75 NPC1 (0.45) OPRM1OPRK1OPRL1CCR2TAAR1
SCHEMBL5160721 0.74 TAAR1 (0.47) OPRM1OPRK1OPRL1CCR2DHODH
SCHEMBL5160705 0.73 NPC1 (0.48) OPRM1OPRK1OPRL1TAAR1NPC1
SCHEMBL5158490 0.71 HRH3 (0.55) HPGDPOLB
SCHEMBL20788081 0.71 OPRM1 (1.00) OPRM1OPRK1OPRL1DHODHHPGD
SCHEMBL5160105 0.71 TAAR1 (0.46) CCR2DHODHTAAR1NPC1LMNA
SCHEMBL8186206 0.70 CNR2 (0.47) OPRL1PTGDR2HTTTMEM97SIGMAR1

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 15 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-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
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 OPRM1 153/4885OPRK1 66/4885OPRL1 17/4885
US-20050171095-A1 Combination of CRF antagonists and 5-HT1B receptor antagonists HTR2B, HTR1B, HTR3B OPRM1 106/4885OPRK1 41/4885OPRL1 9/4885

“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.