SCHEMBL5680153

SCHEMBL5680153

NCCC1CC1c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.70
MAOB P27338 10/20 0.70
HTR2B P41595 6/20 0.70
HTR2A P28223 4/20 0.70
MAOA P21397 7/20 0.50
KDM1A O60341 5/20 0.50
CYP2C19 P33261 4/20 0.50
CYP2B6 P20813 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
LMNA P02545 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2A6 P11509 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 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
SCHEMBL23191934 0.88 HTR2C (0.66) HTR2CMAOBHTR2BHTR2AMAOA
4-Phenyl-Butylamine SCHEMBL6684091 0.85 MAOA (0.58) HTR2CMAOBHTR2BHTR2AMAOA
SCHEMBL4144327 0.83 HTR2C (1.00) HTR2CMAOBHTR2BHTR2ASLC6A2
SCHEMBL2470140 0.83 HTR2C (1.00) HTR2CMAOBHTR2BHTR2ASLC6A2
SCHEMBL4129782 0.83 HTR2C (1.00) HTR2CMAOBHTR2BHTR2ASLC6A2
SCHEMBL13742111 0.83 HTR2C (1.00) HTR2CMAOBHTR2BHTR2ASLC6A2
Hydrochloric Acid SCHEMBL4135410 0.81 HTR2C (1.00) HTR2CMAOBHTR2BHTR2ASLC6A2
Hydrochloric Acid SCHEMBL4140547 0.81 HTR2C (1.00) HTR2CMAOBHTR2BHTR2ASLC6A2
Hydrochloric Acid SCHEMBL4135406 0.81 HTR2C (1.00) HTR2CMAOBHTR2BHTR2ASLC6A2
SCHEMBL25262357 0.79 HTR2C (0.59) HTR2CMAOBHTR2BHTR2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006094201-A2 SEMICARBAZIDE-SENSITIVE AMIDE OXIDASE INHIBITORS LA JOLLA PHARMACEUTICAL COMPANY (US) 2006-09-08 WO disclosed
US-7084154-B2 2-(aminomethyl) arylamide analgesics PHARMACOPEIA DRUG DISCLOVERY, INC. (US) 2006-08-01 US disclosed
EP-1663954-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL CO. (US) 2006-06-07 EP disclosed
US-20050096360-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICALS COMPANY 2005-05-05 US disclosed
WO-2005014530-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL CO. (US) 2005-02-17 WO disclosed
US-20040167119-A1 2-(aminomethyl) arylamide analgesics PHARMACOPEIA, INC (US) 2004-08-26 US disclosed
WO-2004071445-A2 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-26 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 (2 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-20050096360-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment of diseases VCAM1, AOC2, AOC3 HTR2C 2339/4885MAOB 71/4885HTR2B 1566/4885
US-20040167119-A1 2-(aminomethyl) arylamide analgesics OPRL1, OPRM1, OPRK1 HTR2C 36/4885MAOB 420/4885HTR2B 75/4885

“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.