SCHEMBL19897690

SCHEMBL19897690

Cc1c(OCCCN2CCN(CCO)CC2)cccc1-c1cccc(OCCCN2CCN(CCO)CC2)c1C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
POLB P06746 2/20 0.54
HTR1A P08908 1/20 0.54
ALDH1A1 P00352 5/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
CD274 Q9NZQ7 5/20 0.50
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 1/20 0.49
HTR7 P34969 1/20 0.48

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
SCHEMBL24445402 0.96 CYP2D6 (0.58) MEN1KMT2ALMNAHTTPOLB
SCHEMBL19897667 0.88 CD274 (0.54) MEN1KMT2ALMNAHTTPOLB
SCHEMBL19897670 0.88 CD274 (0.54) MEN1KMT2ALMNAHTTPOLB
SCHEMBL30395204 0.88 CD274 (0.54) MEN1KMT2ALMNAHTTPOLB
SCHEMBL24445406 0.87 CYP2D6 (0.68) MEN1KMT2AHTTHTR1AALDH1A1
SCHEMBL19916129 0.85 CYP2D6 (0.66) MEN1KMT2AHTTALDH1A1CYP2D6
SCHEMBL24445444 0.85 CYP2D6 (0.66) MEN1KMT2AHTTALDH1A1CYP2D6
SCHEMBL19939549 0.83 CD274 (0.56) MEN1KMT2AHTR1AALDH1A1CYP2D6
SCHEMBL22065486 0.83 CYP2D6 (0.56) MEN1KMT2ALMNAHTTPOLB
SCHEMBL19916118 0.82 CYP2D6 (0.52) MEN1KMT2ALMNAHTTPOLB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109863146-B Biaryl compounds as immunomodulators 百时美施贵宝公司 2023-02-28 CN claimed
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP claimed
EP-3507284-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2019-07-10 EP claimed
US-10144706-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-04 US claimed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 WO claimed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 US claimed
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP disclosed
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP disclosed
US-10144706-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-04 US disclosed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 WO disclosed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 US disclosed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 US disclosed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 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-10144706-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 MEN1 1857/4885KMT2A 4121/4885LMNA 4791/4885
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 MEN1 1857/4885KMT2A 4121/4885LMNA 4791/4885

“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.