SCHEMBL18930722

SCHEMBL18930722

CC1CN(Cc2ccccc2)C(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.40
OPRK1 P41145 1/20 0.40
ELANE P08246 1/20 0.40
FUCA1 P04066 2/20 0.39
OPRM1 P35372 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL1189331 0.81 GAA (0.39) ACHEMAPTGAAELANEFUCA1
SCHEMBL16080213 0.81 ACHE (0.45) ACHEMAPTFUCA1
SCHEMBL23377484 0.81 FUCA1 (0.45) MAPTGAAOPRK1ELANEFUCA1
SCHEMBL30748878 0.81 GAA (0.39) ACHEMAPTGAAELANEFUCA1
SCHEMBL17069522 0.80 MEN1 (0.39) ACHEGAAELANEFUCA1
SCHEMBL21438350 0.80 GAA (0.38) ACHEMAPTGAAELANEFUCA1
SCHEMBL21468783 0.79 MEN1 (0.38) ACHEMAPTGAAELANEFUCA1
SCHEMBL21438880 0.79 GAA (0.37) ACHEMAPTGAAELANEFUCA1
SCHEMBL19111473 0.79 JAK1 (0.40) ACHEGAAELANEFUCA1HRH4
SCHEMBL17063291 0.79 MEN1 (0.41) MAPTGAAFUCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884847-B2 Indazole retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2018-02-06 US disclosed
US-20170298060-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-10-19 US disclosed
US-9771374-B2 Benzimidazole retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-09-26 US disclosed
US-20170217956-A1 AZAINDOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2017-08-03 US disclosed
US-9701663-B2 Sulfonamide retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-07-11 US disclosed
US-20170190712-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-07-06 US disclosed
US-20170158669-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-06-08 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-20170190712-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARB, RARA, RARG ACHE 3857/4885MAPT 4268/4885GAA 329/4885
US-20170298060-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARB, RARA, RARG ACHE 4485/4885MAPT 4078/4885GAA 1083/4885
US-20170158669-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RXRA, RXRB, RARB ACHE 3460/4885MAPT 3340/4885GAA 1121/4885
US-20170217956-A1 AZAINDOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RARG ACHE 3918/4885MAPT 4277/4885GAA 1376/4885

“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.