SCHEMBL19987470

SCHEMBL19987470

CCC(CC)c1ccc(C#N)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PDE2A O00408 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
CRHR1 P34998 1/20 0.34
KIF11 P52732 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNK3 O14649 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
GPR6 P46095 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL26160556 0.90 CYP2A6 (0.34) CYP2A6FFAR1FFAR4PDE2ATRPV4
SCHEMBL18552812 0.84 CYP2A6 (0.37) CYP2A6FFAR1FFAR4PDE2ATRPV4
SCHEMBL15157804 0.83 TRPV4 (0.37) CYP2A6PDE2ATRPV4EGLN2CYP11B2
SCHEMBL25004034 0.83 PDE2A (0.55) CYP2A6FFAR1FFAR4PDE2ATRPV4
SCHEMBL24936516 0.81 TSHR (0.41) ALDH1A1
SCHEMBL19987487 0.80 CRHR1 (0.42) CYP2A6FFAR1TRPV4CRHR1ALDH1A1
SCHEMBL10121063 0.79 GAA (0.37) CYP2A6FFAR1FFAR4PDE2AKIF11
SCHEMBL18552786 0.78 CYP2A6 (0.35) CYP2A6FFAR1FFAR4TRPV4FNTA
SCHEMBL18552864 0.78 TRPV4 (0.45) CYP2A6TRPV4KIF11
SCHEMBL8576534 0.77 KIF11 (0.37) CYP2A6FFAR1FFAR4KIF11ALDH1A1

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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 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

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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT CYP2A6 834/4885FFAR1 3180/4885FFAR4 3923/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT CYP2A6 834/4885FFAR1 3180/4885FFAR4 3923/4885

“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.