SCHEMBL20408331

SCHEMBL20408331

NCCc1cn(CCCCCCCCCC2CCCCC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.49
CPB1 P15086 1/20 0.49
SIGMAR1 Q99720 1/20 0.45
TSHR P16473 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MTOR P42345 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GBA1 P04062 2/20 0.40
RAD52 P43351 1/20 0.39
KDM4C Q9H3R0 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
RECQL P46063 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL9211761 0.78 CPB2 (0.47) CPB2CPB1TSHRHRH4HRH3
SCHEMBL6647530 0.77 CPB2 (0.50) CPB2CPB1GBA1KDM4CCHRM2
SCHEMBL20389632 0.76 CXCR4 (0.43) CPB2CPB1TSHRCYP2C9CYP2C19
SCHEMBL11000404 0.73 HRH4 (0.43) CPB2CPB1HRH4HRH3KDM4C
SCHEMBL22783610 0.73 CYP2C9 (0.62) CPB2CPB1TSHRCYP2C9CYP2C19
SCHEMBL15020818 0.72 CPB2 (0.54) CPB2CPB1TSHRCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9803226 0.71 TDP1 (0.63) CPB2CPB1TSHRCYP2C9CYP2C19
SCHEMBL1789627 0.70 CYP2C9 (0.58) CPB2CPB1TSHRCYP2C9CYP2C19
SCHEMBL1787076 0.69 CYP2C9 (0.56) CPB2CPB1TSHRCYP2C9CYP2C19
SCHEMBL28704555 0.69 CYP2C9 (0.56) CPB2CPB1TSHRCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208588-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2018-07-26 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 (1 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-20180208588-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF CXCL12, HPGDS, CX3CR1 CPB2 1575/4885CPB1 2228/4885SIGMAR1 4325/4885

“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.