SCHEMBL6057588

SCHEMBL6057588

c1cc(-c2csc(CN3CCCC3)c2)ccc1CN1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.62
▸ HRH4 Q9H3N8 1/20 0.62
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ CHKA P35790 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MBTD1 Q05BQ5 1/20 0.46
▸ L3MBTL3 Q96JM7 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
Hydrochloric Acid SCHEMBL27341628 0.84 HRH3 (0.44) HRH3HRH4CYP2D6CYP2C19CHKA
SCHEMBL6057829 0.79 EHMT2 (0.46) HRH3HRH4CYP2D6CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL27341630 0.79 PTGS2 (0.39) HRH3HRH4
SCHEMBL13940657 0.79 LSS (0.43) HRH3CHKAALDH1A1KDM4EPOLB
SCHEMBL13940606 0.75 KMT2A (0.46) HRH3CHKAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11201497 0.74 HRH3 (0.94) HRH3HRH4CYP2D6CYP2C19ALDH1A1
SCHEMBL13940655 0.74 CHKA (0.51) HRH3CHKAALDH1A1KDM4EPOLB
SCHEMBL13940641 0.74 CYP11B1 (0.42) CHKASMN1; SMN2
SCHEMBL1690956 0.73 CYP2D6 (0.85) HRH3HRH4CYP2D6CYP2C19CHKA
SCHEMBL31010302 0.72 HRH3 (0.70) HRH3HRH4CYP2D6CYP2C19CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276776-B1 CATALYST FOR PRODUCING AN ULTRA HIGH MOLECULAR WEIGHT POLYETHYLENE AND METHOD FOR PRODUCING AN ULTRA HIGH MOLECULAR WEIGHT POLYETHYLENE USING THE SAME SAMSUNG GENERAL CHEMICALS CO (KR) 2006-11-02 — — EP claimed
EP-1311499-B1 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2006-04-12 — — EP claimed
US-6638967-B2 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine ORTHO-MCNEIL PHAMRACEUTICAL, INC. 2003-10-28 — — US claimed
EP-1311499-A2 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-21 — — EP claimed
US-20020037896-A1 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-03-28 — — US claimed
WO-2002012224-A2 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 — — WO claimed
EP-0103100-B1 1-METHYL-5-NITRO-IMIDAZOLINE DERIVATIVES AND THERAPEUTIC COMPOSITIONS WHICH CONTAIN THEM AS ACTIVE PRINCIPLE EURORESEARCH S.R.L. (IT) 1987-10-07 — — EP claimed
EP-1311499-B1 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2006-04-12 — — EP disclosed
US-6638967-B2 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine ORTHO-MCNEIL PHAMRACEUTICAL, INC. 2003-10-28 — — US disclosed
EP-1311499-A2 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-21 — — EP disclosed
US-20020037896-A1 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-03-28 — — US disclosed
WO-2002012224-A2 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 — — 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-20020037896-A1 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine HRH4, HRH3, HRH2 HRH3 2/4885HRH4 1/4885CYP2D6 2890/4885

“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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