SCHEMBL17827708

SCHEMBL17827708

Cc1cc(Cl)ccc1-c1ncccc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
HRH1 P35367 6/20 0.40
GRM5 P41594 1/20 0.39
CHKA P35790 1/20 0.39
GAA P10253 2/20 0.38
PDE4A P27815 1/20 0.38
HRH2 P25021 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
AKR1C3 P42330 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL17827673 0.88 CHKA (0.41) MEN1KMT2AMAPTHRH1GRM5
SCHEMBL17827674 0.80 HRH1 (0.49) MEN1KMT2AMAPTHRH1CHKA
SCHEMBL17827662 0.79 HRH2 (0.52) MAPTHRH1GAAPDE4AHRH2
SCHEMBL17827646 0.77 FAAH (0.35) MEN1KMT2AMAPTNPC1HRH1
SCHEMBL17827679 0.75 CHKA (0.47) MAPTHRH1CHKAGAAHRH2
SCHEMBL17827670 0.74 METAP1 (0.43) MAPTNPC1HRH1CHKAHRH2
SCHEMBL17831329 0.74 MAPK14 (0.44) MAPTCHKA
SCHEMBL16439231 0.73 CHKA (0.48) MAPTHRH1CHKAGAAHRH2
SCHEMBL17827666 0.72 MAPT (0.47) MAPTHRH1CHKAGAAHRH2
SCHEMBL17827700 0.72 CHKA (0.53) MAPTNPC1CHKATP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 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-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR MEN1 4843/4885KMT2A 2461/4885MAPT 4504/4885

“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.