SCHEMBL5045761

SCHEMBL5045761

Cc1cc(F)cc(CCN)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
NOS3 P29474 3/20 0.42
NOS1 P29475 3/20 0.42
NOS2 P35228 2/20 0.42
MAOB P27338 2/20 0.41
RAPGEF4 Q8WZA2 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL15787560 0.86 NOS3 (0.41) TAAR1NOS3NOS1NOS2RAPGEF4
SCHEMBL537203 0.84 TAAR1 (0.60) TAAR1CYP1A2CYP2A6NOS3NOS1
SCHEMBL3849051 0.84 TAAR1 (0.60) TAAR1CYP1A2CYP2A6NOS3NOS1
SCHEMBL1014548 0.84 TAAR1 (0.60) TAAR1CYP2A6MAOBHTR2AHTR2C
SCHEMBL31614540 0.82 LOXL2 (0.42) TAAR1NOS3NOS1NOS2MAOB
SCHEMBL4162524 0.82 LOXL2 (0.42) TAAR1NOS3NOS1NOS2MAOB
Hydrochloric Acid SCHEMBL5151143 0.81 TAAR1 (0.58) TAAR1CYP1A2CYP2A6NOS3NOS1
Hydrochloric Acid SCHEMBL2211247 0.81 TAAR1 (0.58) TAAR1CYP2A6MAOBHTR2AHTR2C
SCHEMBL16958903 0.80 FFAR4 (0.39) NOS3NOS1NOS2RAPGEF4
SCHEMBL16953464 0.78 RAPGEF4 (0.35) NOS3NOS1NOS2RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-09-28 US disclosed
US-7456183-B2 Guanidino compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-11-25 US disclosed
EP-1767525-A1 Guanidino compounds as melanocortin-4 receptor (MC4-R) agonists Novartis Vaccines and Diagnostics, Inc. (US) 2007-03-28 EP disclosed
US-7189727-B2 Guanidino compounds CHIRON CORPORATION (US) 2007-03-13 US disclosed
EP-1385823-B1 GUANIDINO COMPOUNDS AS MELANOCORTIN-4 RECEPTOR (MC4-R) AGONISTS CHIRON CORP (US) 2006-12-13 EP disclosed
US-6960582-B2 Guanidino compounds CHIRON CORPORATION (US) 2005-11-01 US disclosed
US-20050038027-A1 Novel guanidino compounds CHIRON CORPORATION 2005-02-17 US disclosed
EP-1385823-A4 NOVEL GUANIDINO COMPOUNDS CHIRON CORP (US) 2005-02-16 EP disclosed
US-20040248895-A1 Novel guanidino compounds CHU DANIEL (US) 2004-12-09 US disclosed
US-6716840-B2 AGONISTS OF THE MELANOCORTIN-4 RECEPTOR (?MC-4R?); USEFUL TREATING OBESITY AND TYPE 2 DIABETES CHIRON CORPORATION 2004-04-06 US disclosed
US-20040024211-A1 Novel guanidino compounds CHIRON CORPORATION 2004-02-05 US disclosed
EP-1385823-A1 NOVEL GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2004-02-04 EP disclosed
US-20020193595-A1 Novel guanidino compounds CHU DANIEL (US) 2002-12-19 US disclosed
WO-2002081443-A1 NOVEL GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2002-10-17 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 (5 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-20050038027-A1 Novel guanidino compounds MC4R, MC3R, GCKR TAAR1 1637/4885CYP1A2 3224/4885CYP2A6 2902/4885
US-20040024211-A1 Novel guanidino compounds MC4R, MC5R, MC3R TAAR1 220/4885CYP1A2 2672/4885CYP2A6 1609/4885
US-20020193595-A1 Novel guanidino compounds MC4R, MC5R, MC3R TAAR1 251/4885CYP1A2 3041/4885CYP2A6 2233/4885
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 TAAR1 2977/4885CYP1A2 346/4885CYP2A6 511/4885
US-20040248895-A1 Novel guanidino compounds MC4R, MC5R, MC3R TAAR1 211/4885CYP1A2 2335/4885CYP2A6 2141/4885

“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.