SCHEMBL2268323

SCHEMBL2268323

CC(N)Cc1ccc(Br)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.46
PYCR1 P32322 1/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR2A P28223 4/20 0.41
TAAR1 Q96RJ0 2/20 0.41

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
SCHEMBL11462319 0.85 PYCR1 (0.46) PYCR1HTR2A
SCHEMBL30452141 0.81 PYCR1 (0.44) PYCR1HTR2A
SCHEMBL24252830 0.81 PYCR1 (0.44) PYCR1HTR2A
SCHEMBL5003267 0.81 HTR2A (0.54) PNMTSLC6A2SLC6A3HTR2A
SCHEMBL1952766 0.81 HTR2A (0.54) PNMTSLC6A2SLC6A3HTR2A
SCHEMBL5000357 0.81 HTR2A (0.54) PNMTSLC6A2SLC6A3HTR2A
SCHEMBL24102567 0.80 PYCR1 (0.40) PYCR1HTR2A
SCHEMBL31545584 0.79 PNMT (0.47) PNMTSLC6A2SLC6A3HTR2A
Hydrochloric Acid SCHEMBL2270392 0.79 HTR2A (0.53) PNMTSLC6A2SLC6A3HTR2A
SCHEMBL5177742 0.79 PYCR1 (0.42) PYCR1HTR2A

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
CN-101489999-B N- (l-alkyl-2- phenylethyl) -carboxamide derivatives and usethereof as fungicides SYNGENTA LTD (GB) 2012-07-04 CN disclosed
US-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 US disclosed
US-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 US disclosed
US-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 US disclosed
CN-101489999-A N- (l-alkyl-2- phenylethyl) -carboxamide derivatives and usethereof as fungicides SYNGENTA LTD (CH) 2009-07-22 CN disclosed
EP-2035374-A1 N- (L-ALKYL-2- PHENYLETHYL) -CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES Syngeta Participations AG (CH) 2009-03-18 EP disclosed
WO-2007141009-A1 N- (L-ALKYL-2- PHENYLETHYL) -CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-12-13 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 (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-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES CYP1A1, CYP51A1, CYP2E1 PNMT 97/4885PYCR1 315/4885SLC6A2 2289/4885

“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.