SCHEMBL19965728

SCHEMBL19965728

CCCC(CC)c1ccc(C#N)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.43
CYP11B1 P15538 18/20 0.39
CYP11B2 P19099 18/20 0.39
S1PR3 Q99500 1/20 0.37

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
SCHEMBL19304389 0.92 TRPV4 (0.47) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL20372823 0.89 AR (0.36) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL21316575 0.87 MAOB (0.41)
SCHEMBL18717463 0.84 TRPV4 (0.43) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL19853074 0.81 SHBG (0.39)
SCHEMBL2632858 0.80 TRPV4 (0.46) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL12497486 0.79 TRPV4 (0.44) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL18927463 0.78 TRPV4 (0.41) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL21164367 0.78 LMNA (0.39)
SCHEMBL21164523 0.77 SLC6A4 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-03 US disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2018-07-12 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 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 (6 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-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors CYP3A5, CYP3A43, CYP3A4 TRPV4 1157/4885CYP11B1 22/4885CYP11B2 25/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT TRPV4 3519/4885CYP11B1 273/4885CYP11B2 246/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT TRPV4 3519/4885CYP11B1 273/4885CYP11B2 246/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT TRPV4 3519/4885CYP11B1 273/4885CYP11B2 246/4885
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS CYP3A5, CYP3A43, CYP3A4 TRPV4 1157/4885CYP11B1 22/4885CYP11B2 25/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT TRPV4 3519/4885CYP11B1 273/4885CYP11B2 246/4885

“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.