SCHEMBL20870486

SCHEMBL20870486

CC[C@H]1CCc2ccccc2N1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.60
CREBBP Q92793 2/20 0.51
BRD4 O60885 1/20 0.51
AR P10275 3/20 0.41
SMYD3 Q9H7B4 1/20 0.38
HTR1A P08908 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 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
SCHEMBL22262591 1.00 MTNR1A (0.60) MTNR1ACREBBPBRD4ARSMYD3
SCHEMBL29659944 1.00 MTNR1A (0.60) MTNR1ACREBBPBRD4ARSMYD3
SCHEMBL4139663 1.00 MTNR1A (0.60) MTNR1ACREBBPBRD4ARSMYD3
SCHEMBL29659962 1.00 MTNR1A (0.60) MTNR1ACREBBPBRD4ARSMYD3
SCHEMBL4138599 0.86 MTNR1A (0.57) MTNR1ACREBBPBRD4ARSMYD3
SCHEMBL7951734 0.85 MTNR1A (0.55) MTNR1ACREBBPBRD4SMYD3NPC1
SCHEMBL22279962 0.84 MTNR1A (0.47) MTNR1ACREBBPBRD4ARGAA
SCHEMBL4045997 0.83 MTNR1A (0.55) MTNR1ACREBBPBRD4ARSMYD3
SCHEMBL4128722 0.82 MTNR1A (0.53) MTNR1ACREBBPBRD4ARHTR1A
SCHEMBL1916242 0.82 MTNR1A (0.53) MTNR1ACREBBPBRD4SMYD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396503-B2 Sulfonyl substituted bicyclic compound which acts as ROR inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-07-26 US disclosed
CN-111094267-B Sulfonyl-substituted bicyclic compounds as ROR gamma inhibitors 正大天晴药业集团股份有限公司 2022-06-14 CN disclosed
EP-3689860-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-08-05 EP disclosed
EP-3689860-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-08-05 EP disclosed
US-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-30 US disclosed
US-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-30 US disclosed
CN-111094267-A Sulfonyl-substituted bicyclic compounds as ROR gamma inhibitors 正大天晴药业集团股份有限公司 2020-05-01 CN disclosed
WO-2019063015-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS RORγ INHIBITOR 正大天晴药业集团股份有限公司 2019-04-04 WO disclosed
US-9328079-B2 Process for producing optically active amine TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-05-03 US disclosed
US-20150210657-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-07-30 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 (3 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-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR RORC, RORA, RORB MTNR1A 342/4885CREBBP 124/4885BRD4 253/4885
US-20150210657-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE HRH3, HRH1, ATIC MTNR1A 1880/4885CREBBP 4212/4885BRD4 3939/4885
US-11396503-B2 Sulfonyl substituted bicyclic compound which acts as ROR inhibitor RORC, RORA, RORB MTNR1A 342/4885CREBBP 124/4885BRD4 253/4885

“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.