SCHEMBL10153401

SCHEMBL10153401

Cc1noc(C[C@H](C)C(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.36
▸ HIF1A Q16665 1/20 0.33
▸ KDM1A O60341 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10153397 1.00 SMN1; SMN2 (0.41) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL12251323 0.80 SMN1; SMN2 (0.43) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL171770 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL12888936 0.77 MAPT (0.38) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL12889010 0.77 MAPT (0.38) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL17227576 0.74 SMN1; SMN2 (0.42) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL20670512 0.74 SMN1; SMN2 (0.44) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL12905011 0.73 MAPT (0.41) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL8230056 0.73 SMN1; SMN2 (0.47) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL12888984 0.72 MAPT (0.40) SMN1; SMN2MAPTCYP2C9CYP2C19HSD17B10

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-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 — — US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 — — 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 SMN1; SMN2 1758/4885MAPT 4011/4885CYP2C9 4126/4885

“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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