SCHEMBL14754056

SCHEMBL14754056

CC1=CCN(C2CCNC2)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.35
▸ KHK P50053 3/20 0.33
▸ HRH4 Q9H3N8 3/20 0.33
▸ HRH3 Q9Y5N1 3/20 0.33
▸ HTR2C P28335 4/20 0.31
▸ HTR2B P41595 3/20 0.31
▸ CCNT1 O60563 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ HTR2A P28223 1/20 0.30

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
SCHEMBL14754059 0.83 HTR2C (0.38) HTR6KHKHTR2CHTR2BCCNT1
SCHEMBL15828741 0.78 HTR6 (0.33) HTR6
SCHEMBL1130038 0.70 — —
SCHEMBL21729492 0.69 HTR2C (0.38) HTR6KHKHTR2CHTR2BCCNT1
SCHEMBL15828742 0.69 CCNT1 (0.36) HTR6KHKHTR2CHTR2BCCNT1
SCHEMBL14069048 0.67 HTR2C (0.46) HTR6KHKHTR2CHTR2BPARP1
SCHEMBL23588772 0.65 HTR6 (0.42) HTR6
SCHEMBL23588773 0.65 HTR6 (0.42) HTR6
SCHEMBL235884 0.64 HTR6 (0.42) HTR6KHKHTR2CHTR2B
SCHEMBL1447785 0.63 HTR6 (0.75) HTR6KHKHTR2CHTR2B

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 20 patents. 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-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 — — US disclosed
WO-2020036154-A1 NOVEL MEDICAMENT FOR TREATING INFLAMMATORY BOWEL DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-02-20 — — WO 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-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 (8 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 HTR6 2690/4885KHK 2067/4885HRH4 334/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR6 2690/4885KHK 2067/4885HRH4 334/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR6 2690/4885KHK 2067/4885HRH4 334/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR6 2690/4885KHK 2067/4885HRH4 334/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP HTR6 2761/4885KHK 2454/4885HRH4 277/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR6 2664/4885KHK 2057/4885HRH4 356/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR6 2690/4885KHK 2067/4885HRH4 334/4885
US-20210317111-A1 NOVEL MEDICAMENT FOR TREATING INFLAMMATORY BOWEL DISEASE FABP2, SLC10A2, NFKBIA HTR6 2462/4885KHK 4390/4885HRH4 230/4885

“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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