SCHEMBL19639917

SCHEMBL19639917

CCc1ccc(N(C)C2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL19639881 0.98 HRH3 (0.42) HRH3HRH4MAPTALDH1A1CYP3A4
SCHEMBL19639893 0.92 HTR2A (0.41) HRH3HRH4MAPTALDH1A1CYP3A4
SCHEMBL17484556 0.84 RORC (0.39) HTR2AHTR2C
SCHEMBL4485887 0.83 HRH4 (0.44) HRH3HRH4ALDH1A1KDM4EUSP2
SCHEMBL27299359 0.81 HRH3 (0.41) HRH3HRH4ALDH1A1CYP3A4TSHR
SCHEMBL24375902 0.79 SLC6A2 (0.38) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL20778740 0.78 NPC1 (0.39) HRH3HRH4MAPTALDH1A1HTR2A
SCHEMBL11156954 0.76 ENPP2 (0.52) HRH3HRH4ALDH1A1TSHRKDM4E
SCHEMBL23522020 0.76 TRPV1 (0.36) HRH3HRH4ALDH1A1KDM4EKMT2A
SCHEMBL7793337 0.76 ALDH1A1 (0.44) HRH3HRH4ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752617-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-08-25 US disclosed
US-10618890-B2 Benzimidazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-04-14 US disclosed
US-20190202819-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-07-04 US disclosed
US-10246440-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR γ (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-20190071433-A1 BENZIMIDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-03-07 US disclosed
US-20170342062-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-11-30 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 (6 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-20190071433-A1 BENZIMIDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) RORA, RORB, RORC HRH3 192/4885HRH4 96/4885MAPT 1031/4885
US-10246440-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR γ (T)) RORA, RORB, RORC HRH3 222/4885HRH4 141/4885MAPT 673/4885
US-20170342062-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) RORA, RORB, RORC HRH3 214/4885HRH4 140/4885MAPT 664/4885
US-20190202819-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) RORA, RORB, RORC HRH3 214/4885HRH4 140/4885MAPT 664/4885
US-10752617-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) RORA, RORB, RORC HRH3 214/4885HRH4 140/4885MAPT 664/4885
US-10618890-B2 Benzimidazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) RORA, RORB, RORC HRH3 192/4885HRH4 96/4885MAPT 1031/4885

“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.