SCHEMBL1166638

SCHEMBL1166638

CC(F)CCCCn1cc(N)cn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
ACHE P22303 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NTRK1 P04629 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
SCHEMBL27958775 0.87 MAPT (0.38) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL31319603 0.81 MAPT (0.42) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL1703139 0.78 MAPT (0.41) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL4495152 0.78 MAPT (0.45) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL17144671 0.78 KDR (0.44) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL22261330 0.76 KDR (0.46) MAPTLMNAL3MBTL1ALDH1A1PKM
Hydrochloric Acid SCHEMBL31644352 0.76 MAPT (0.44) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL27224316 0.76 KDR (0.46) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL24884483 0.76 MAPT (0.40) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL30190756 0.76 MAPT (0.40) MAPTLMNAL3MBTL1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 MAPT 2198/4885LMNA 4005/4885L3MBTL1 4752/4885

“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.