SCHEMBL19965715

SCHEMBL19965715

CCCCCC(C)(CCCCC)c1ccc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
RIPK1 Q13546 2/20 0.33
HSP90AA1 P07900 2/20 0.33
KCNN4 O15554 1/20 0.33
GCGR P47871 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP51A1 Q16850 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL24836099 0.85 CNR2 (0.42) SOAT1CNR2CNR1
SCHEMBL18588744 0.83 CNR2 (0.38) CNR2CNR1HSP90AA1SLC6A2SLC6A4
SCHEMBL19965716 0.83 SCN5A (0.36) CNR2CNR1CYP3A4HDAC3HDAC1
SCHEMBL7514982 0.82 HSP90AA1 (0.38) SOAT1CNR2CNR1RIPK1HSP90AA1
SCHEMBL7515276 0.82 HSP90AA1 (0.38) SOAT1CNR2CNR1RIPK1HSP90AA1
SCHEMBL19965727 0.82 KIF11 (0.40) CNR2CNR1
SCHEMBL7512339 0.82 HSP90AA1 (0.38) SOAT1CNR2CNR1RIPK1HSP90AA1
SCHEMBL24252081 0.81 SOAT1 (0.35) SOAT1CNR2RIPK1HSP90AA1KCNN4
SCHEMBL24835735 0.81 RIPK1 (0.40) RIPK1HSP90AA1KCNN4SLC6A2SLC6A4
SCHEMBL19059646 0.80 SMN1; SMN2 (0.35) CNR2CNR1RIPK1KCNN4SLC6A2

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 SOAT1 2399/4885CNR2 528/4885CNR1 864/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT SOAT1 2399/4885CNR2 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.