SCHEMBL18151841

SCHEMBL18151841

OC(c1ccc(Br)cn1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 6/20 0.43
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TRPV4 Q9HBA0 1/20 0.36
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
PLAU P00749 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GCK P35557 1/20 0.33
GCKR Q14397 1/20 0.33
GBA1 P04062 1/20 0.32
FDPS P14324 1/20 0.32

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
SCHEMBL133375 0.79 TRPV4 (0.58) ALDH1A1KDM4ETRPV4ADRA2AADRA2B
SCHEMBL131737 0.76 MLYCD (0.47) MLYCDKDM4ETRPV4NR1H2NR1H3
SCHEMBL18151424 0.76 MLYCD (0.43) MLYCDTRPV4NR1H2NR1H3ADRA2A
SCHEMBL131736 0.76 MLYCD (0.43) MLYCDTRPV4NR1H2NR1H3GCK
SCHEMBL25248859 0.76 PDE10A (0.39) ALDH1A1KDM4ETRPV4ADRA2AADRA2B
SCHEMBL152558 0.75 PDE10A (0.43) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL29744288 0.75 TRPV4 (0.39) ALDH1A1KDM4ETRPV4ADRA2AADRA2B
SCHEMBL17113669 0.75 TRPV4 (0.39) ALDH1A1KDM4ETRPV4ADRA2AADRA2B
SCHEMBL15001189 0.75 PDE10A (0.43) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL15001191 0.75 PDE10A (0.43) ALDH1A1KDM4EADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2022-04-07 US disclosed
US-11242350-B2 Spirocyclic ROR-gamma modulators ESCALIER BIOSCIENCES B.V. (US) 2022-02-08 US disclosed
US-20210053976-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-02-25 US disclosed
EP-3765020-A1 SPIROCYCLIC ROR-GAMMA MODULATORS Escalier Biosciences B.V. (US) 2021-01-20 EP disclosed
CN-112118841-A Spirocyclic ROR-gamma modulators 爱思凯利尔生物科学私人有限责任公司 2020-12-22 CN disclosed
WO-2019177997-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. (US) 2019-09-19 WO disclosed
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 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-11242350-B2 Spirocyclic ROR-gamma modulators RORA, RORC, RORB MLYCD 4092/4885ALDH1A1 156/4885KDM4E 4007/4885
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB MLYCD 3444/4885ALDH1A1 1054/4885KDM4E 2422/4885
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB MLYCD 4092/4885ALDH1A1 156/4885KDM4E 4007/4885
US-20210053976-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB MLYCD 4180/4885ALDH1A1 205/4885KDM4E 3812/4885

“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.