SCHEMBL2086317

SCHEMBL2086317

CN1C2CCC1CC(NC(=O)n1ncc3cc(N4CCSCC4)ccc31)C2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 3/20 0.38
▸ HTR3A P46098 3/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2218365 0.72 GSK3B (0.39) HTR4HTR3ATMEM97SIGMAR1PIK3CA
SCHEMBL2087901 0.70 DYRK1A (0.61) ALDH1A1CYP3A4TSHRMAPK1HSD17B10
SCHEMBL2086408 0.69 HTR3A (0.58) HTR4HTR3A
SCHEMBL2218215 0.68 HDAC8 (0.44) HTR3A
SCHEMBL2085621 0.67 DYRK1A (0.57) HTR3A
SCHEMBL2087217 0.67 DYRK1A (0.57) HTR3A
SCHEMBL2214961 0.65 GSK3B (0.39) HTR4
SCHEMBL8719125 0.63 HTR3A (0.43) HTR3A
SCHEMBL8714766 0.63 ASAH1 (0.49) HTR4HTR3ATMEM97SIGMAR1
SCHEMBL8714384 0.62 HTR3A (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902217-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-03-08 — — US disclosed
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-05-07 — — 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-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 HTR4 157/4885HTR3A 61/4885TMEM97 190/4885

“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.

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