SCHEMBL13837017

SCHEMBL13837017

N#CC[C@@H](N)c1cccc(Cl)c1F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.55
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
PNMT P11086 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
TAAR1 Q96RJ0 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.31

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
SCHEMBL28974289 0.83 PNMT (0.52) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL28996980 0.82 NISCH (0.41) CFDCYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL30209730 0.81 ALDH1A1 (0.53) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL29781979 0.77 CFD (0.59) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL30148348 0.77 CFD (0.64) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL17023736 0.77 CFD (0.59) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL12480093 0.77 CFD (0.59) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL30140001 0.77 CFD (0.64) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL10217259 0.77 CFD (0.59) CFDCYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL16397203 0.76 CFD (0.58) CFDCYP1A2CYP3A4CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085555-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2015-07-21 US disclosed
US-20120295884-A1 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2012-11-22 US 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-20120295884-A1 Complement pathway modulators and uses thereof C5, C3AR1, C9 CFD 9/4885CYP1A2 611/4885CYP3A4 190/4885

“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.