SCHEMBL1119947

SCHEMBL1119947

FC(F)(F)c1c(Cl)nc2c(c1Cl)CNCC2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.39
HTR2A P28223 10/20 0.35
HTR2C P28335 10/20 0.35
HTR2B P41595 10/20 0.35
MAPT P10636 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL2572051 0.68 PNMT (0.42) PNMTHTR2AHTR2CHTR2BMAPT
Hydrochloric Acid SCHEMBL4322406 0.67 PNMT (0.41) PNMTHTR2AHTR2CHTR2BMAPT
SCHEMBL416988 0.67 PNMT (0.41) PNMTHTR2AHTR2CHTR2BMAPT
Trifluoroacetic Acid SCHEMBL30321353 0.67 MAPT (0.34) PNMTHTR2AHTR2CHTR2BMAPT
SCHEMBL28308550 0.66 NSD2 (0.44) PNMTHTR2AHTR2CHTR2BMAPT
SCHEMBL12706725 0.66 HTR2A (0.49) PNMTHTR2AHTR2CHTR2BMAPT
SCHEMBL4387393 0.66 PNMT (0.36) PNMTHTR2AHTR2CHTR2B
SCHEMBL4864420 0.66 HTR2A (0.45) HTR2AHTR2CHTR2B
SCHEMBL10863365 0.65 NOTUM (0.34)
Trifluoroacetic Acid SCHEMBL30321293 0.65 HTR2C (0.39) HTR2AHTR2CHTR2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569282-B2 Carboxamide compounds and their use CYTOPATHFINDER, INC. (JP) 2013-10-29 US disclosed
EP-2280766-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CHEMOKINE RECEPTOR AGONISTS CytoPathfinder, Inc. (JP) 2011-02-09 EP disclosed
US-20100324035-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-23 US disclosed
US-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS JONES SIMON 2010-11-11 US disclosed
WO-2010129843-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS CYTOPATHFINDER, INC. (JP) 2010-11-11 WO disclosed
WO-2009076512-A1 CARBOXAMIDΞ COMPOUNDS AND THEIR USE AS CHEMOKINE RECEPTOR AGONISTS EPIX DELAWARE, INC. (US) 2009-06-18 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-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS ALDH1A2, QDPR, PDE6C PNMT 1118/4885HTR2A 677/4885HTR2C 1386/4885
US-20100324035-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 PNMT 2608/4885HTR2A 455/4885HTR2C 640/4885

“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.