SCHEMBL18171002

SCHEMBL18171002

CC(C)n1cc2cccc(C(=O)NCC3CCN(C4CCCCC4)CC3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 0.48
HTR3A P46098 10/20 0.44
FLT3 P36888 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
GAS6 Q14393 1/20 0.42

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
SCHEMBL16858320 0.97 HTR4 (0.51) HTR4HTR3A
Fumaric Acid SCHEMBL16827119 0.95 HTR4 (0.44) HTR4HTR3AFLT3TYRO3MERTK
Fumaric Acid SCHEMBL16827121 0.95 HTR4 (0.44) HTR4HTR3AFLT3TYRO3MERTK
Fumaric Acid SCHEMBL16827057 0.92 HTR4 (0.47) HTR4HTR3A
Fumaric Acid SCHEMBL16827056 0.92 HTR4 (0.47) HTR4HTR3A
SCHEMBL18171071 0.87 HTR4 (0.58) HTR4HTR3A
SCHEMBL20078603 0.84 HTR4 (0.42) HTR4HTR3AFLT3TYRO3MERTK
SCHEMBL16827109 0.83 HTR4 (0.55) HTR4HTR3A
SCHEMBL16827162 0.83 HTR4 (0.51) HTR4HTR3A
SCHEMBL18171054 0.82 HTR4 (0.54) HTR4HTR3A

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
CN-105873920-B As 5-HT4The indazole compound of receptor stimulating agent 苏文生命科学有限公司 2018-06-08 CN claimed
US-9951045-B2 Indazole compounds as 5-HT4 receptor agonists SUVEN LIFE SCIENCES LIMITED (IN) 2018-04-24 US claimed
EP-3099675-B1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LTD (IN) 2018-02-14 EP claimed
US-20160311797-A1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2016-10-27 US claimed
US-9951045-B2 Indazole compounds as 5-HT4 receptor agonists SUVEN LIFE SCIENCES LIMITED (IN) 2018-04-24 US disclosed
US-20160311797-A1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2016-10-27 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-20160311797-A1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A HTR4 1/4885HTR3A 5/4885FLT3 1269/4885

“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.