SCHEMBL2217879

SCHEMBL2217879

CN1CC2CC1C2NC(=O)c1n[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 5/20 0.58
▸ HTR3A P46098 2/20 0.58
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ YTHDC1 Q96MU7 1/20 0.53
▸ USP30 Q70CQ3 1/20 0.52
▸ CNR1 P21554 1/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ RIPK1 Q13546 1/20 0.50
▸ SMYD3 Q9H7B4 1/20 0.49
▸ FLT3 P36888 3/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CCNA1 P78396 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ DYRK1A Q13627 1/20 0.45

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
SCHEMBL1761623 0.82 CHRNA7 (0.60) CHRNA7HTR3ANPC1RAB9AYTHDC1
Hydrochloric Acid SCHEMBL1761864 0.81 CHRNA7 (0.58) CHRNA7HTR3ANPC1RAB9AYTHDC1
SCHEMBL2089327 0.81 CHRNA7 (0.64) CHRNA7HTR3ANPC1RAB9AYTHDC1
SCHEMBL12441910 0.79 CHRNA7 (0.64) CHRNA7HTR3ANPC1RAB9AYTHDC1
SCHEMBL2086156 0.79 CHRNA7 (0.64) CHRNA7HTR3ANPC1RAB9AYTHDC1
SCHEMBL2218695 0.77 USP30 (0.41) CHRNA7HTR3AUSP30DYRK1A
Indisetron SCHEMBL332330 0.76 NPC1 (0.61) CHRNA7HTR3ANPC1RAB9AYTHDC1
Indisetron SCHEMBL18311525 0.76 NPC1 (0.61) CHRNA7HTR3ANPC1RAB9AYTHDC1
SCHEMBL7339950 0.76 NPC1 (0.61) CHRNA7HTR3ANPC1RAB9AYTHDC1
SCHEMBL7342673 0.76 NPC1 (0.61) CHRNA7HTR3ANPC1RAB9AYTHDC1

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-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 — — 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-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 CHRNA7 1/4885HTR3A 61/4885NPC1 622/4885

“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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