SCHEMBL469211

SCHEMBL469211

CC[C@H](CO)c1nc(C)no1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL10193024 0.88 MAPT (0.33) CXCR1CXCR2MAPTCYP2C9CYP2C19
SCHEMBL469207 0.78 MAPT (0.32) CXCR1CXCR2MAPTCYP2C9CYP2C19
SCHEMBL10192262 0.78 MAPT (0.32) CXCR1CXCR2MAPTCYP2C9CYP2C19
SCHEMBL13844342 0.76 MAPT (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL13186805 0.76 MAPT (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL19245790 0.76 MAPT (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL12262819 0.72 ACHE (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL15934138 0.72 ACHE (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL20628462 0.72 ACHE (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL10193033 0.72 CNR2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 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 (3 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 CXCR1 439/4885CXCR2 119/4885MAPT 4011/4885
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 CXCR1 441/4885CXCR2 119/4885MAPT 3986/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 CXCR1 439/4885CXCR2 119/4885MAPT 4011/4885

“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.