SCHEMBL5235271

SCHEMBL5235271

CC(C)N(CCN1CCN(CCCC(C#N)(c2cccs2)C(C)C)CC1)c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.34
OPRM1 P35372 3/20 0.34
CACNA1B Q00975 2/20 0.34
HTR1A P08908 1/20 0.33
CYP2D6 P10635 3/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
HIF1A Q16665 1/20 0.32
EBP Q15125 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31
CCR3 P51677 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL6490082 0.83 KCNH2 (0.46) HTR1ASIGMAR1DRD1HTR2AHRH1
SCHEMBL5238080 0.81 CACNA1B (0.38) CCR1CACNA1BHTR1ADRD1HTR2A
SCHEMBL14431707 0.80 DRD2 (0.36) CCR1CACNA1BHTR1AEBPSIGMAR1
SCHEMBL5241348 0.77 CACNA1B (0.49) CCR1CACNA1BHTR1ARAB9ASIGMAR1
SCHEMBL5232512 0.77 CCR1 (0.39) CCR1CACNA1BRAB9AEBPSIGMAR1
SCHEMBL14432577 0.76 RAB9A (0.43) CCR1OPRM1CACNA1BHTR1ARAB9A
SCHEMBL5239226 0.76 CACNA1B (0.36) CCR1CACNA1BHTR1ADRD1HTR2A
SCHEMBL14431909 0.76 CACNA1B (0.36) CCR1CACNA1BHTR1ADRD1HTR2A
SCHEMBL5239224 0.76 CACNA1B (0.36) CCR1CACNA1BHTR1ADRD1HTR2A
SCHEMBL14431971 0.74 DRD2 (0.37) CACNA1BEBPSIGMAR1KCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 US disclosed
US-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 US disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 US disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 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-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E CCR1 735/4885OPRM1 37/4885CACNA1B 2/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D CCR1 1498/4885OPRM1 52/4885CACNA1B 1/4885

“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.