SCHEMBL20642400

SCHEMBL20642400

CCc1cc(C(C)C)ncc1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.35
▸ P2RX2 Q9UBL9 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.32
▸ PGK1 P00558 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ PDE9A O76083 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ KCNK3 O14649 1/20 0.31
▸ KCNK9 Q9NPC2 1/20 0.31
▸ LNPEP Q9UIQ6 1/20 0.31
▸ PDE2A O00408 1/20 0.31

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
SCHEMBL20642314 0.79 P2RX3 (0.36) P2RX3P2RX2TAAR1
SCHEMBL18068091 0.79 KCNK3 (0.35) P2RX3P2RX2CYP3A4CYP2D6TSHR
SCHEMBL13073948 0.79 PDE2A (0.38) P2RX3P2RX2HRH4CYP3A4CYP2D6
SCHEMBL12828162 0.79 CYP3A4 (0.33) P2RX3P2RX2HRH4AAK1CYP3A4
SCHEMBL12828155 0.78 PGK1 (0.39) P2RX3P2RX2PGK1AAK1CYP3A4
SCHEMBL18018416 0.78 PGK1 (0.39) P2RX3P2RX2PGK1HDAC3HDAC1
SCHEMBL20642376 0.76 AR (0.34) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL21076466 0.74 NOS3 (0.33) —
SCHEMBL24759678 0.74 NOS3 (0.39) P2RX3P2RX2
SCHEMBL18791405 0.73 NOS3 (0.32) —

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-10695348-B2 Sulfonyl pyridyl TRP inhibitors GENENTECH, INC. (US) 2020-06-30 — — US disclosed
US-20190167681-A1 SULFONYL PYRIDYL TRP INHIBITORS GENENTECH, INC. (US) 2019-06-06 — — US disclosed
US-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 — — 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-10179782-B2 Substituted sulfonamide compounds TRPA1, TRPV1, TRPV5 P2RX3 32/4885P2RX2 27/4885HRH4 217/4885
US-10695348-B2 Sulfonyl pyridyl TRP inhibitors TRPA1, TRPV1, TRPV5 P2RX3 13/4885P2RX2 25/4885HRH4 174/4885
US-20190167681-A1 SULFONYL PYRIDYL TRP INHIBITORS TRPA1, TRPV1, TRPV5 P2RX3 13/4885P2RX2 25/4885HRH4 174/4885

“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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