SCHEMBL7645836

SCHEMBL7645836

O=C(CCCN1CCCCC1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.81
KMT2A Q03164 4/20 0.81
GFER P55789 1/20 0.79
DRD2 P14416 3/20 0.65
HTR1A P08908 1/20 0.62
HTR2A P28223 1/20 0.62
SLC6A4 P31645 1/20 0.62
HTR7 P34969 1/20 0.62
HRH1 P35367 1/20 0.62
DRD3 P35462 1/20 0.62
HTR2B P41595 1/20 0.62
ADRA1D P25100 1/20 0.62
ADRA1A P35348 1/20 0.62
ADRA1B P35368 1/20 0.62
MAPT P10636 1/20 0.58
KDM4E B2RXH2 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP1A2 P05177 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL10603564 1.00 ALDH1A1 (0.81) ALDH1A1KMT2AGFERDRD2HTR1A
Hydrochloric Acid SCHEMBL10606849 0.98 ALDH1A1 (0.82) ALDH1A1KMT2AGFERDRD2HTR1A
SCHEMBL2834503 0.95 ALDH1A1 (0.79) ALDH1A1KMT2AGFERDRD2HTR1A
SCHEMBL5182996 0.93 ALDH1A1 (0.76) ALDH1A1KMT2AGFERDRD2HTR1A
SCHEMBL8525343 0.93 ALDH1A1 (0.70) ALDH1A1KMT2AGFERDRD2HTR1A
Fumaric Acid SCHEMBL10619017 0.93 ALDH1A1 (0.70) ALDH1A1KMT2AGFERDRD2HTR1A
SCHEMBL10107784 0.90 ALDH1A1 (1.00) ALDH1A1KMT2AGFERHTR1AMAPT
SCHEMBL5356971 0.90 ALDH1A1 (1.00) ALDH1A1KMT2AGFERHTR1AMAPT
Hydrochloric Acid SCHEMBL29354698 0.88 ALDH1A1 (1.00) ALDH1A1KMT2AGFERMAPTEGFR
Hydrochloric Acid SCHEMBL10675086 0.88 ALDH1A1 (1.00) ALDH1A1KMT2AGFERMAPTEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0157762-B1 NEW SUBSTITUTED PIPERIDINOGUANIDINES, PREPARATION PROCESS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOUCHARA S.A. (FR) 1990-08-08 EP claimed
US-20150266864-A1 HETEROAROMATIC COMPOUNDS, METHOD FOR PREPARING THE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, USES AND METHOD FOR TREATING ACUTE AND CHRONIC PAIN CRISTÁLIA PRODUTOS QUÍMICOS FARMACÊUTICOS LTDA (BR) 2015-09-24 US disclosed
US-6486153-B1 Phenylindole derivatives as 5-HT2A receptor ligands MERCK SHARP & DOHME LTD. 2002-11-26 US disclosed
EP-0041493-B1 USE OF GAMMA-PIPERIDINO-BUTYROPHENONES FOR THE PREPARATION OF MEDICAMENTS FOR TREATING DIARRHOEA AB Ferrosan (SE) 1987-03-04 EP disclosed
US-4344952-A Method of treating diarrhoea with gamma-piperidino-butyrophenones AB FERROSAN (SE) 1982-08-17 US disclosed
EP-0041493-A1 Use of gamma-piperidino-butyrophenones for the preparation of medicaments for treating diarrhoea AB Ferrosan (SE) 1981-12-09 EP disclosed
US-4148796-A γ-Piperidinobutyrophenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-04-10 US disclosed
US-4148796-A γ-Piperidinobutyrophenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-04-10 US disclosed
US-4148796-A γ-Piperidinobutyrophenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-04-10 US disclosed
US-4100291-A HYPOTENSIVE ROUSSEL UCLAF (FR) 1978-07-11 US disclosed
US-4070473-A CNS DEPRESSANTS AB FERROSAN (SW) 1978-01-24 US disclosed
US-4054570-A NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1977-10-18 US disclosed
US-4021563-A Method of treating cardiac arrhythmia with γ-piperidino-butyrophenones NOVO NORDISK A/S 1977-05-03 US disclosed
US-4012514-A Aryl ketones and production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-03-15 US disclosed
US-3992546-A 4-Piperidinobutyrophenones as neuroleptics CIBA-GEIGY CORPORATION (US) 1976-11-16 US disclosed
US-3907812-A Butyrophenone derivatives SUMITOMO CHEMICAL CO (JP) 1975-09-23 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-20150266864-A1 HETEROAROMATIC COMPOUNDS, METHOD FOR PREPARING THE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, USES AND METHOD FOR TREATING ACUTE AND CHRONIC PAIN TRPV1, AP1G1, INA ALDH1A1 306/4885KMT2A 2470/4885GFER 2454/4885

“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.