SCHEMBL29849641

SCHEMBL29849641

C1=C(Cc2ccccn2)c2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.51
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
CHRM5 P08912 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH1 P35367 1/20 0.38
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 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
SCHEMBL1436947 1.00 HTR6 (0.51) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL4313805 0.85 HRH1 (0.44) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL30733631 0.83 HTR6 (0.54) HTR6
SCHEMBL21274261 0.83 HTR6 (0.54) HTR6
SCHEMBL11625344 0.83 HRH1 (0.49) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL7618202 0.80 HTR6 (0.67) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL2231213 0.78 CHRM2 (0.40) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL6130448 0.73 HTR6 (0.74) HTR6L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL6919946 0.72 HTR6 (0.58) HTR6HRH1
SCHEMBL31121639 0.72 HTR6 (0.56) HTR6

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-11440979-B2 Catalysts, catalyst systems, and methods for using the same EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-09-13 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-11440979-B2 Catalysts, catalyst systems, and methods for using the same CYCS, CAT, PARG HTR6 3973/4885CHRM2 4376/4885CHRM4 3845/4885

“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.