SCHEMBL29082017

SCHEMBL29082017

CC1CCC(c2cccc(CCCN(C)C)c2)=NC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.41
NOS1 P29475 2/20 0.39
NOS3 P29474 1/20 0.39
HTR1A P08908 2/20 0.39
TGFBR1 P36897 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
CHRM4 P08173 1/20 0.35
ADRA2C P18825 1/20 0.35
NOS2 P35228 1/20 0.35
SLC6A4 P31645 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
SCHEMBL30469665 1.00 HTR7 (0.41) HTR7NOS1NOS3HTR1ATGFBR1
SCHEMBL24364951 1.00 HTR7 (0.41) HTR7NOS1NOS3HTR1ATGFBR1
SCHEMBL30471013 0.92 HTR7 (0.49) HTR7NOS1HTR1ACHRNB4CHRNA3
SCHEMBL29343579 0.92 HTR7 (0.49) HTR7NOS1HTR1ACHRNB4CHRNA3
SCHEMBL29081809 0.92 HTR7 (0.49) HTR7NOS1HTR1ACHRNB4CHRNA3
SCHEMBL25321370 0.84 HTR7 (0.45) HTR7NOS1CHRNB4CHRNA3CHRNA7
SCHEMBL25321361 0.84 HTR7 (0.45) HTR7NOS1CHRNB4CHRNA3CHRNA7
SCHEMBL24366665 0.77 NOTUM (0.40) NOS1NOS3CHRNB4CHRNA3NOS2
SCHEMBL24364215 0.77 CHRNB2 (0.47) HTR7NOS1NOS2
SCHEMBL30470886 0.77 CHRNB2 (0.47) HTR7NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 US disclosed
CN-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 CN 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-20260078117-A1 COMPOUNDS AND METHODS OF USE NR3C2, ADRA1A, CNR1 HTR7 639/4885NOS1 1666/4885NOS3 2054/4885

“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.