SCHEMBL22085528

SCHEMBL22085528

NC1(c2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.47
P2RX7 Q99572 12/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
DHFR P00374 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL18717564 0.89 P2RX7 (0.44) TRPV4P2RX7
SCHEMBL18717573 0.82 PDE2A (0.41) TRPV4P2RX7
SCHEMBL24448654 0.78 TRPV4 (0.47) TRPV4P2RX7
SCHEMBL18233514 0.76 KCNH2 (0.39) TRPV4
SCHEMBL18233513 0.75 PIK3CA (0.40) TRPV4AKT1AKT2
SCHEMBL23231389 0.75 P2RX7 (0.35) P2RX7
Hydrochloric Acid SCHEMBL18223700 0.74 PIK3CA (0.39) TRPV4AKT1AKT2
SCHEMBL15822277 0.74 SLC6A3 (0.60) P2RX7
SCHEMBL31684530 0.73 PIK3CD (0.41) TRPV4DHFR
SCHEMBL16462716 0.73 P2RX7 (0.53) P2RX7

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-20220048889-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-17 US disclosed
WO-2020114947-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-11 WO 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-20220048889-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH TRPV4 338/4885P2RX7 2173/4885AKT1 3702/4885

“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.