SCHEMBL19231978

SCHEMBL19231978

CCOc1ncc(C(CC)CC)cn1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
NQO1 P15559 1/20 0.32
AOC3 Q16853 2/20 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
SCHEMBL19464647 0.88 ACACB (0.34) ACACBMEN1KMT2ACYP1A2
SCHEMBL19987499 0.85 NR1I2 (0.36) ACACB
SCHEMBL19987480 0.83 ACACB (0.35) ACACB
SCHEMBL19232025 0.83 ACACB (0.35) ACACBMEN1KMT2ACYP1A2NQO1
SCHEMBL19987502 0.83 TUBB4A (0.38)
SCHEMBL24804934 0.82 NR1I2 (0.43) ACACB
SCHEMBL19464598 0.82 NR1I2 (0.43) ACACB
SCHEMBL19231981 0.81 ACACB (0.39) ACACBMEN1KMT2ACYP1A2NQO1
SCHEMBL12413771 0.80 ACACB (0.41) ACACBMEN1KMT2ACYP1A2NQO1
SCHEMBL19987479 0.79 ACACB (0.34) ACACB

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 5 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-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 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-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 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 (4 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT ACACB 411/4885MEN1 2981/4885KMT2A 461/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT ACACB 411/4885MEN1 2981/4885KMT2A 461/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT ACACB 347/4885MEN1 2234/4885KMT2A 400/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT ACACB 347/4885MEN1 2234/4885KMT2A 400/4885

“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.