SCHEMBL5163040

SCHEMBL5163040

CN1CCC2CCN(c3ccccc3CCNC(=O)c3ccc(Cl)c(Cl)c3)CC21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
TAAR1 Q96RJ0 1/20 0.44
PLD2 O14939 1/20 0.44
PLD1 Q13393 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 2/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
NAMPT P43490 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 3/20 0.41
CCR2 P41597 1/20 0.41
HIF1A Q16665 1/20 0.40
CHRNA7 P36544 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 0.82 NPC1 (0.51) NPC1OPRM1OPRK1OPRL1LMNA
Hydrochloric Acid SCHEMBL6664273 0.81 NPC1 (0.49) NPC1OPRM1OPRK1OPRL1LMNA
SCHEMBL5160105 0.80 TAAR1 (0.46) NPC1TAAR1PLD2PLD1LMNA
SCHEMBL5160182 0.79 NPC1 (0.49) NPC1TAAR1PLD2PLD1OPRM1
SCHEMBL5160705 0.77 NPC1 (0.48) NPC1TAAR1PLD2PLD1OPRM1
SCHEMBL5160115 0.75 NPC1 (0.45) NPC1TAAR1LMNARAB9AHPGD
SCHEMBL5164201 0.75 OPRM1 (0.55) NPC1TAAR1PLD2PLD1OPRM1
SCHEMBL5164279 0.73 MCHR1 (0.46) NPC1RAB9AHPGDPOLBHTT
SCHEMBL22411118 0.70 MCHR1 (0.49) NPC1LMNARAB9AMAPTHIF1A
SCHEMBL5162612 0.70 DRD2 (0.48) NPC1TAAR1RAB9ATP53MAPT

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 13 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
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-6197773-B1 HEADACHES; ANTIDEPRESSANTS PFIZER INC 2001-03-06 US 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 1223/4885TAAR1 71/4885PLD2 2583/4885
US-20050182049-A1 Combination of gamma-aminobutyric acid modulators and 5-HT1B receptor antagonists HTR1B, HTR2B, HTR2A NPC1 1943/4885TAAR1 75/4885PLD2 2615/4885
US-20050171095-A1 Combination of CRF antagonists and 5-HT1B receptor antagonists HTR2B, HTR1B, HTR3B NPC1 1251/4885TAAR1 84/4885PLD2 3018/4885

“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.