SCHEMBL20282990

SCHEMBL20282990

CN1CC(c2ccccc2)C(c2cccc(OC(F)(F)F)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.48
CCR6 P51684 2/20 0.48
NOTUM Q6P988 1/20 0.42
KDM1A O60341 1/20 0.41
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 0.41
CYP2D6 P10635 4/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
TACR1 P25103 4/20 0.40
CYP3A4 P08684 1/20 0.40
FFAR1 O14842 1/20 0.40
DRD4 P21917 1/20 0.39

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
SCHEMBL24877524 0.84 KCNH2 (0.45) KCNH2CCR6NOTUMCARM1PRMT6
SCHEMBL12876072 0.77 TAS1R3 (0.44) NOTUMKDM1ACARM1PRMT6CYP2D6
SCHEMBL23993603 0.77 TAS1R3 (0.44) NOTUMKDM1ACARM1PRMT6CYP2D6
SCHEMBL14011291 0.76 MEN1 (0.51) KCNH2KDM1ACYP2D6SLC6A2SLC6A4
SCHEMBL14011287 0.76 MEN1 (0.51) KCNH2KDM1ACYP2D6SLC6A2SLC6A4
SCHEMBL18656539 0.75 MAP4K1 (0.51) NOTUM
SCHEMBL30228465 0.75 MAP4K1 (0.51) NOTUM
SCHEMBL15743961 0.73 HSD17B2 (0.43) KCNH2NOTUMFFAR1
SCHEMBL25004988 0.72 ALOX5 (0.45) KCNH2KDM1ASLC6A4FFAR1
SCHEMBL8974437 0.72 KIF11 (0.41) NOTUMKDM1ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954215-B2 Compounds as modulators of ROR gamma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-23 US disclosed
EP-3555065-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2021-02-24 EP disclosed
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-05 US disclosed
WO-2018111803-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-21 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 (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-10954215-B2 Compounds as modulators of ROR gamma RORB, RORC, RORA KCNH2 4425/4885CCR6 276/4885NOTUM 3670/4885
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORC, RORB, RORA KCNH2 4351/4885CCR6 248/4885NOTUM 3822/4885

“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.