SCHEMBL5022149

SCHEMBL5022149

CC1CCC(NC(=O)CN(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
MAOA P21397 1/20 0.41
EPHX1 P07099 1/20 0.38
FASN P49327 3/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADRA2A P08913 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL19864847 0.90 CA12 (0.41) ALDH1A1MAOAEPHX1SMN1; SMN2
SCHEMBL25599879 0.90 CA12 (0.41) ALDH1A1MAOAEPHX1SMN1; SMN2
SCHEMBL9029685 0.89 EPHX1 (0.48) ALDH1A1POLBRECQLMAOAEPHX1
SCHEMBL9027751 0.89 EPHX1 (0.48) ALDH1A1POLBRECQLMAOAEPHX1
SCHEMBL9027748 0.89 EPHX1 (0.48) ALDH1A1POLBRECQLMAOAEPHX1
SCHEMBL24658467 0.87 MAOA (0.38) ALDH1A1POLBRECQLMAOAFASN
SCHEMBL4191188 0.85 MAOA (0.47) ALDH1A1MAOAEPHX1MAPTGAA
SCHEMBL13349453 0.79 MTNR1A (0.46) EPHX1FASNGAANPC1RAB9A
SCHEMBL23080984 0.79 MTNR1A (0.46) EPHX1FASNGAANPC1RAB9A
SCHEMBL18972807 0.79 MTNR1A (0.46) EPHX1FASNGAANPC1RAB9A

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
EP-2638014-B1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF ROR-GAMMA ACTIVITY AND THE TREATMENT OF DISEASES LYCERA CORP (US) 2017-01-04 EP disclosed
US-9512111-B2 N-sulfonylated tetrahydroquinolines and related bicyclic compounds for inhibition of RORγ activity and the treatment of disease LYCERA CORPORATION (US) 2016-12-06 US disclosed
US-20140088094-A1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2014-03-27 US disclosed
WO-2012064744-A2 TETRAHYDROQUINOLINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORϒ ACTIVITY AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2012-05-18 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 (1 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-20140088094-A1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA ALDH1A1 1659/4885POLB 4368/4885RECQL 625/4885

“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.