SCHEMBL19965727

SCHEMBL19965727

CCCCCC(C)(CCC)c1ccc(C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
CNR2 P34972 14/20 0.37
CNR1 P21554 11/20 0.37
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 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
SCHEMBL26326946 0.95 KIF11 (0.40) KIF11CNR2CNR1SMN1; SMN2
SCHEMBL19965715 0.82 SOAT1 (0.34) CNR2CNR1
SCHEMBL19965716 0.79 SCN5A (0.36) CNR2CNR1SMN1; SMN2
SCHEMBL21339358 0.79 SMN1; SMN2 (0.35) CNR2CNR1SMN1; SMN2
SCHEMBL19451475 0.78 SMN1; SMN2 (0.33) KIF11CNR2CNR1SMN1; SMN2
SCHEMBL20093570 0.78 CNR2 (0.37) KIF11CNR2CNR1SMN1; SMN2POLB
SCHEMBL20089653 0.78 KIF11 (0.43) KIF11SMN1; SMN2
SCHEMBL19059646 0.76 SMN1; SMN2 (0.35) CNR2CNR1SMN1; SMN2
SCHEMBL20646806 0.76 CNR2 (0.45) CNR2CNR1SMN1; SMN2
SCHEMBL26053254 0.75 SMN1; SMN2 (0.36) CNR2CNR1SMN1; SMN2

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-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 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 (2 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-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT KIF11 3776/4885CNR2 528/4885CNR1 864/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT KIF11 3776/4885CNR2 528/4885CNR1 864/4885

“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.