SCHEMBL17730185

SCHEMBL17730185

N#Cc1cccc(C(=O)NC[C@H]2CC[C@@H](c3ccccc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.48
GPR139 Q6DWJ6 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
ACACB O00763 1/20 0.48
VNN1 O95497 1/20 0.47
NAMPT P43490 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOA P21397 2/20 0.47
CETP P11597 1/20 0.47
KCNH2 Q12809 1/20 0.47
DRD2 P14416 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL17730184 1.00 DRD4 (0.48) DRD4GPR139CTSLCTSBCTSK
SCHEMBL17730039 0.87 AR (0.56) CTSLCTSBCTSKNAMPTMAOA
SCHEMBL17730038 0.87 AR (0.56) CTSLCTSBCTSKNAMPTMAOA
SCHEMBL4400995 0.87 MEN1 (0.52) DRD4GPR139CTSLCTSBCTSK
SCHEMBL17730182 0.82 CRHR1 (0.58) MEN1KMT2AMAOAKCNH2DRD2
SCHEMBL17730181 0.82 CRHR1 (0.58) MEN1KMT2AMAOAKCNH2DRD2
SCHEMBL4390094 0.80 MAPK14 (0.50) GPR139ACACBVNN1NAMPTMEN1
SCHEMBL4013506 0.79 GAA (0.48) GPR139ACACBVNN1NAMPTMEN1
SCHEMBL17818371 0.77 MEN1 (0.56) DRD4ACACBMEN1KMT2ADRD2
SCHEMBL5368326 0.76 TPSAB1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 EP disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 EP disclosed
US-10206893-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2019-02-19 US disclosed
US-10206893-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2019-02-19 US disclosed
US-20180325889-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2018-11-15 US disclosed
EP-3215142-A2 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-09-13 EP disclosed
US-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 US disclosed
US-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 US disclosed
US-20160137653-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 US disclosed
US-20160137653-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 US disclosed
WO-2016073774-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 WO disclosed
WO-2016073774-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 WO 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-20160137653-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT DRD4 2693/4885GPR139 2909/4885CTSL 3780/4885
US-10206893-B2 Immunoregulatory agents IDO1, IDO2, INMT DRD4 2693/4885GPR139 2909/4885CTSL 3780/4885
US-20170143649-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT DRD4 2693/4885GPR139 2909/4885CTSL 3780/4885
US-20180325889-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT DRD4 2693/4885GPR139 2909/4885CTSL 3780/4885

“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.