SCHEMBL18110705

SCHEMBL18110705

c1ccc(CN2C[C@H]3C[C@H]2CN3)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
P2RX7 Q99572 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
MAPT P10636 1/20 0.44
CHRM3 P20309 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL2822843 1.00 LTA4H (0.57) LTA4HP2RX7CHRNB2CHRNA4MAPT
SCHEMBL1367956 1.00 LTA4H (0.57) LTA4HP2RX7CHRNB2CHRNA4MAPT
SCHEMBL643358 1.00 LTA4H (0.57) LTA4HP2RX7CHRNB2CHRNA4MAPT
Iodide SCHEMBL8989630 0.98 LTA4H (0.56) LTA4HP2RX7CHRNB2CHRNA4MAPT
Hydrochloric Acid SCHEMBL1367998 0.98 LTA4H (0.56) LTA4HP2RX7CHRNB2CHRNA4MAPT
Bromide SCHEMBL5857053 0.98 LTA4H (0.56) LTA4HP2RX7CHRNB2CHRNA4MAPT
Bromide SCHEMBL939381 0.98 LTA4H (0.56) LTA4HP2RX7CHRNB2CHRNA4MAPT
Bromide SCHEMBL1363188 0.98 LTA4H (0.56) LTA4HP2RX7CHRNB2CHRNA4MAPT
Hydrochloric Acid SCHEMBL18111693 0.98 LTA4H (0.56) LTA4HP2RX7CHRNB2CHRNA4MAPT
SCHEMBL17472381 0.87 CHRM3 (0.55) LTA4HP2RX7CHRM3

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 8 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-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-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 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
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 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 (7 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 LTA4H 646/4885P2RX7 2411/4885CHRNB2 4359/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT LTA4H 646/4885P2RX7 2411/4885CHRNB2 4359/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT LTA4H 692/4885P2RX7 2716/4885CHRNB2 3434/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT LTA4H 692/4885P2RX7 2716/4885CHRNB2 3434/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT LTA4H 692/4885P2RX7 2716/4885CHRNB2 3434/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT LTA4H 646/4885P2RX7 2411/4885CHRNB2 4359/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT LTA4H 692/4885P2RX7 2716/4885CHRNB2 3434/4885

“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.