SCHEMBL4199990

SCHEMBL4199990

O=c1[nH]c2ccccc2c(=O)n1CCCl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
HPGD P15428 3/20 0.69
KDM4E B2RXH2 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
CYP1A2 P05177 1/20 0.66
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MPO P05164 2/20 0.61
ADORA3 P0DMS8 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA2B P29275 1/20 0.57
ADORA1 P30542 1/20 0.57
KMT2A Q03164 2/20 0.57
ACHE P22303 1/20 0.55
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
QPCT Q16769 1/20 0.53
CA12 O43570 1/20 0.53
RNASEH1 O60930 1/20 0.53
ERCC1 P07992 1/20 0.53

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
SCHEMBL30581253 1.00 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL5112012 0.90 ALDH1A1 (0.73) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL5553139 0.89 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL30089550 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL5878601 0.83 ALDH1A1 (0.82) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL17485188 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL1662185 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL8074180 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL14692183 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL8692730 0.83 CYP1A2 (0.76) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023133524-A1 A PROCESS FOR SYNTHESIZING KETANSERIN TERRAN BIOSCIENCES, INC. (US) 2023-07-13 WO disclosed
WO-2023133524-A1 A PROCESS FOR SYNTHESIZING KETANSERIN TERRAN BIOSCIENCES, INC. (US) 2023-07-13 WO disclosed
CN-112142760-A Ketanserin intermediate and preparation method of ketanserin 江苏法安德医药科技有限公司 2020-12-29 CN disclosed
CN-106866625-B Preparation method of ketanserin 上海鼎雅药物化学科技有限公司 2019-12-13 CN disclosed
CN-106866625-B Preparation method of ketanserin 上海鼎雅药物化学科技有限公司 2019-12-13 CN disclosed
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 US disclosed
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 US disclosed
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 US disclosed
EP-3174864-A2 VMAT INHIBITORY COMPOUNDS Oregon Health & Science University (US) 2017-06-07 EP disclosed
US-9546151-B2 VMAT inhibitory compounds OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-01-17 US disclosed
EP-0089065-B1 NOVEL PHENYLPIPERAZINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1987-06-16 EP disclosed
US-4665075-A ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-12 US disclosed
EP-0196132-A2 1,2-Benzisoxazol-3-yl and 1,2-benzisothiazol-3-yl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1986-10-01 EP disclosed
EP-0184258-A2 Novel derivatives of hydroxy- or amino-substituted (piperidinylalkyl)quinazolines JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 EP disclosed
US-4578465-A VASODILATION AGENTS, HYPOTENSIVE AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1986-03-25 US disclosed
US-4522945-A SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-11 US disclosed
EP-0098499-A1 Process for preparing ketanserine RAVIZZA S.p.A. (IT) 1984-01-18 EP disclosed
EP-0013612-B1 (PIPERIDINYLALKYL)QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-11-09 EP disclosed
EP-0089065-A2 Novel phenylpiperazine derivatives and process for producing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1983-09-21 EP disclosed
US-4335127-A POTENT SEROTONIN ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-06-15 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 (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-20170298042-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 ALDH1A1 887/4885HPGD 2224/4885KDM4E 1821/4885

“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.