SCHEMBL18440697

SCHEMBL18440697

CCOC(=O)c1ccc2c(c1)cc(Cc1ccc(C(N)=O)cc1)n2CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.50
MAPT P10636 6/20 0.46
ALDH1A1 P00352 5/20 0.46
RAB9A P51151 3/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
F10 P00742 1/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
NLRP3 Q96P20 1/20 0.42
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL20465143 0.91 MAPT (0.48) RORCMAPTALDH1A1RAB9APPARG
SCHEMBL18440704 0.86 RORC (0.53) RORCMAPTALDH1A1RAB9AKMT2A
SCHEMBL18440914 0.86 RORC (0.52) RORCMAPTALDH1A1RAB9APPARG
SCHEMBL20465178 0.84 MAPT (0.43) RORCMAPTALDH1A1RAB9APPARG
SCHEMBL20465147 0.77 SRD5A2 (0.48) RORCMAPTALDH1A1RAB9AKMT2A
SCHEMBL19360388 0.76 RORC (0.55) RORCKDM4E
SCHEMBL19360605 0.75 IDH1 (0.47) RORCKDM4E
SCHEMBL28063917 0.73 CA12 (0.46) MAPTALDH1A1RAB9APPARGNCOA2
SCHEMBL20465176 0.73 ALDH1A1 (0.43) RORCMAPTALDH1A1RAB9APPARG
SCHEMBL19360604 0.73 IDH1 (0.47) RORC

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-20210300869-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICAL, LLC 2021-09-30 US disclosed
US-10829448-B2 Substituted benzoimidazoles as modulators of ROR-γ VITAE PHARMACEUTICALS, LLC (US) 2020-11-10 US disclosed
EP-3331876-B1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2020-10-07 EP disclosed
US-20200062707-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. 2020-02-27 US disclosed
US-10301261-B2 Substituted indoles as modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2019-05-28 US disclosed
US-20180222860-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2018-08-09 US disclosed
EP-3331876-A1 MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, Inc. (US) 2018-06-13 EP disclosed
WO-2017024018-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2017-02-09 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 (5 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-10301261-B2 Substituted indoles as modulators of ROR-gamma RORB, RORC, RORA RORC 2/4885MAPT 3049/4885ALDH1A1 407/4885
US-20200062707-A1 MODULATORS OF ROR-GAMMA RORB, RORC, RORA RORC 2/4885MAPT 3698/4885ALDH1A1 479/4885
US-20180222860-A1 MODULATORS OF ROR-GAMMA RORB, RORC, RORA RORC 2/4885MAPT 3698/4885ALDH1A1 479/4885
US-10829448-B2 Substituted benzoimidazoles as modulators of ROR-γ RORC, RORB, RORA RORC 1/4885MAPT 3626/4885ALDH1A1 374/4885
US-20210300869-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA RORC 1/4885MAPT 3867/4885ALDH1A1 367/4885

“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.