SCHEMBL14754059

SCHEMBL14754059

CC1=CCN(C2CCNC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.38
▸ HTR2B P41595 9/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ KHK P50053 3/20 0.34
▸ HTR2A P28223 3/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL14754056 0.83 HTR6 (0.35) HTR2CHTR2BCCNT1CDK9HTR6
SCHEMBL21729492 0.80 HTR2C (0.38) HTR2CHTR2BCCNT1CDK9HTR6
SCHEMBL15828742 0.80 CCNT1 (0.36) HTR2CHTR2BCCNT1CDK9HTR6
SCHEMBL24119205 0.78 HPGD (0.33) HTR2CHTR2BKHK
SCHEMBL14197801 0.75 SLC18A3 (0.37) —
SCHEMBL22306951 0.72 SOS1 (0.31) —
SCHEMBL235884 0.69 HTR6 (0.42) HTR2CHTR2BHTR6KHK
SCHEMBL14365465 0.69 HTR6 (0.47) HTR2CHTR2BHTR6KHKHTR2A
SCHEMBL14197803 0.69 GRIN2B (0.45) —
SCHEMBL29501433 0.69 SLC18A3 (0.50) HTR2CHTR2BHTR2ATAAR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317111-A1 NOVEL MEDICAMENT FOR TREATING INFLAMMATORY BOWEL DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-10-14 — — US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 — — US disclosed
WO-2020036154-A1 NOVEL MEDICAMENT FOR TREATING INFLAMMATORY BOWEL DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-02-20 — — WO disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 — — US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 — — US disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 — — EP disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 — — US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 — — US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 — — US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 — — US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 — — US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 — — US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 — — US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 — — US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 — — US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 — — US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 — — US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 — — US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 — — US disclosed
WO-2013029548-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-07 — — 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 (9 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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR2C 1561/4885HTR2B 2122/4885CCNT1 883/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR2C 1561/4885HTR2B 2122/4885CCNT1 883/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR2C 1561/4885HTR2B 2122/4885CCNT1 883/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR2C 1561/4885HTR2B 2122/4885CCNT1 883/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP HTR2C 1655/4885HTR2B 2253/4885CCNT1 1021/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR2C 1579/4885HTR2B 2077/4885CCNT1 953/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR2C 1561/4885HTR2B 2122/4885CCNT1 883/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 HTR2C 1684/4885HTR2B 2213/4885CCNT1 388/4885
US-20210317111-A1 NOVEL MEDICAMENT FOR TREATING INFLAMMATORY BOWEL DISEASE FABP2, SLC10A2, NFKBIA HTR2C 2486/4885HTR2B 2987/4885CCNT1 3770/4885

“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.

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