SCHEMBL5644368

SCHEMBL5644368

Fc1ccc(-c2n[nH]c3c2CNCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.80
HTR2A P28223 4/20 0.80
HTR2C P28335 4/20 0.80
HTR2B P41595 4/20 0.80
HTR1D P28221 3/20 0.80
HTR1E P28566 3/20 0.80
HTR6 P50406 3/20 0.80
HTR1A P08908 1/20 0.80
SOS1 Q07889 1/20 0.73
MAPK1 P28482 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 SCHEMBL30785564 0.98 HTR7 (0.78) HTR7HTR2AHTR2CHTR2BHTR1D
SCHEMBL31758806 0.85 HTR7 (0.67) HTR7HTR2AHTR2CHTR2BHTR1D
SCHEMBL18934294 0.84 HTR7 (0.80) HTR7HTR2AHTR2CHTR2BHTR1D
SCHEMBL12340041 0.84 SOS1 (1.00) HTR7HTR2AHTR2CHTR2BHTR1D
SCHEMBL10818201 0.84 HTR7 (0.79) HTR7HTR2AHTR2CHTR2BHTR1D
Hydrochloric Acid SCHEMBL3441395 0.83 SOS1 (0.97) HTR7HTR2AHTR2CHTR2BHTR1D
SCHEMBL807194 0.83 SOS1 (0.70) HTR7HTR2AHTR2CHTR2BHTR1D
Hydrochloric Acid SCHEMBL2258457 0.83 HTR7 (0.77) HTR7HTR2AHTR2CHTR2BHTR1D
SCHEMBL10818194 0.82 SOS1 (0.69) HTR7HTR2AHTR2CHTR2BHTR1D
Hydrochloric Acid SCHEMBL790197 0.81 SOS1 (0.68) HTR7HTR2AHTR2CHTR2BHTR1D

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-2013037415-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINES, THEIR USE AS MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM SANOFI (FR) 2013-03-21 WO disclosed
US-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-03-30 US disclosed
WO-2004064778-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO. INC. (US) 2004-08-05 WO disclosed
EP-0086422-B1 PHARMACOLOGICALLY ACTIVE PYRAZOLO(4,3-C)PYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1987-09-30 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-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 HTR7 3033/4885HTR2A 2387/4885HTR2C 2255/4885

“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.