SCHEMBL5145157

SCHEMBL5145157

NCCCCOc1ccccc1Cc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
TSHR P16473 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
LMNA P02545 1/20 0.65
HRH1 P35367 10/20 0.64
DRD1 P21728 6/20 0.59
DRD4 P21917 5/20 0.59
DRD5 P21918 5/20 0.59
DRD2 P14416 4/20 0.59
DRD3 P35462 4/20 0.57
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
HTR2A P28223 1/20 0.50

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 SCHEMBL11631075 0.98 HPGD (0.81) HPGDSMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL11033196 0.95 HPGD (0.81) HPGDSMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL11031853 0.89 HPGD (0.96) HPGDSMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL5004402 0.84 HRH1 (0.70) HPGDSMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL9236565 0.83 TP53 (0.67) HPGDSMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL28360925 0.81 TP53 (0.69) HPGDSMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL11627611 0.81 TP53 (0.65) HPGDSMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL5004014 0.81 HRH1 (0.66) HPGDSMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL5146718 0.81 HRH1 (0.71) HPGDSMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL5249495 0.81 HRH1 (0.66) HPGDSMN1; SMN2TP53CYP1A2CYP3A4

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-0684224-A1 A process for the preparation of 2-(4-N-methylaminobutoxy)diphenylmethane PROCOS S.p.A. (IT) 1995-11-29 EP claimed
JP-7330694-A None JP disclosed
EP-1697303-A4 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES (US) 2007-07-04 EP disclosed
EP-1697303-A1 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES, INC. (US) 2006-09-06 EP disclosed
US-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof STIEFEL LABORATORIES, INC. 2006-03-02 US disclosed
WO-2005068414-A1 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES, INC. (US) 2005-07-28 WO disclosed
JP-H07330694-A PROCESS FOR PRODUCING 2-(4-N-METHYLAMINO-BUTOXY) DIPHENYLMETHANE PROCOS SPA 1995-12-19 JP disclosed
EP-0684224-A1 A process for the preparation of 2-(4-N-methylaminobutoxy)diphenylmethane PROCOS S.p.A. (IT) 1995-11-29 EP disclosed
EP-0103897-B1 PHARMACEUTICAL COMPOSITION USEFUL FOR IMPROVEMENT AND/OR TREATMENT OF MENTAL SYMPTOMS CAUSED BY ORGANIC DISORDER IN BRAIN Eisai Co., Ltd. (JP) 1987-02-04 EP disclosed
US-4576966-A (METHYLAMINOBUTOXY) DIPHENYLMETHANE EISAI CO., LTD. (JP) 1986-03-18 US disclosed
US-4507322-A ADMINISTERING 2,4-METHYLAMINOBUTOXYDIPHENYLMETHANE EISAI CO., LTD. (JP) 1985-03-26 US disclosed
EP-0103897-A1 Pharmaceutical composition useful for improvement and/or treatment of mental symptoms caused by organic disorder in brain Eisai Co., Ltd. (JP) 1984-03-28 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 (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-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof HPD, HNMT, PRPH HPGD 9/4885SMN1; SMN2 1017/4885TP53 3538/4885

“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.