SCHEMBL3899585

SCHEMBL3899585

C1=C(c2ccc(-c3ccccc3)cc2)CCNC1

nearest known ligand 0.92

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.92
▸ HTR2C P28335 9/20 0.88
▸ QDPR P09417 3/20 0.66
▸ HTR6 P50406 2/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ HTR7 P34969 1/20 0.56
▸ NAMPT P43490 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL415545 0.96 SIGMAR1 (1.00) SIGMAR1HTR2CQDPRHTR6HTR2A
Hydrochloric Acid SCHEMBL446973 0.94 HTR2C (1.00) SIGMAR1HTR2CQDPRHTR6HTR2A
Bromide SCHEMBL11385943 0.94 SIGMAR1 (0.96) SIGMAR1HTR2CQDPRHTR6HTR2A
Hydrochloric Acid SCHEMBL3676212 0.92 SIGMAR1 (0.92) SIGMAR1HTR2CQDPRHTR6HTR2A
SCHEMBL4791120 0.89 SIGMAR1 (0.79) SIGMAR1HTR2CQDPRHTR6HTR2A
Hydrochloric Acid SCHEMBL4793458 0.87 HTR2C (0.79) SIGMAR1HTR2CQDPRHTR6HTR2A
Trifluoroacetic Acid SCHEMBL19989664 0.85 SIGMAR1 (0.67) SIGMAR1HTR2CQDPRHTR6HTR2A
Acetonitrile SCHEMBL8683916 0.85 SIGMAR1 (0.79) SIGMAR1HTR2CQDPRHTR6HTR2A
SCHEMBL3045859 0.83 SIGMAR1 (0.70) SIGMAR1HTR2CQDPRHTR6HTR2A
SCHEMBL1954669 0.83 SIGMAR1 (0.77) SIGMAR1HTR2CQDPRHTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519387-B1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG A ST CO LTD (KR) 2021-08-11 — — EP disclosed
EP-3519387-B1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG A ST CO LTD (KR) 2021-08-11 — — EP disclosed
WO-2018062924-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-04-05 — — WO disclosed
US-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-03-29 — — US disclosed
US-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-03-29 — — US disclosed
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 — — US disclosed
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 — — US disclosed
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 — — US disclosed
US-20050080096-A1 Condensed heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-14 — — US disclosed
EP-1469854-A1 CONDENSED HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-27 — — EP disclosed
EP-0867183-B1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-10-06 — — EP disclosed
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. 2004-09-23 — — US disclosed
US-6706734-B2 ANTIISCHEMIC AGENTS; ANTICONVULSANTS; HEADACHES DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-16 — — US disclosed
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 — — EP disclosed
WO-2003063874-A1 CONDENSED HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-07 — — WO disclosed
US-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-07-10 — — US disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 — — US disclosed
US-6455549-B1 ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIMIGRAINE AGENTS; CALCIUM OVELOAD SUPPRESSANTS SUNTORY LIMITED (JP) 2002-09-24 — — US disclosed
EP-0867183-A1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1998-09-30 — — EP 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 (4 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-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R SIGMAR1 1167/4885HTR2C 100/4885QDPR 529/4885
US-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS GALE, UGDH, PGLS SIGMAR1 1438/4885HTR2C 1786/4885QDPR 42/4885
US-20050080096-A1 Condensed heterocyclic compounds PARP1, PARP2, PARP3 SIGMAR1 3797/4885HTR2C 543/4885QDPR 1379/4885
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R SIGMAR1 1167/4885HTR2C 100/4885QDPR 529/4885

“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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