SCHEMBL16986161

SCHEMBL16986161

Fc1ccc(-c2n[nH]cc2CCN2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
POLB P06746 2/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
MAPK13 O15264 8/20 0.47
MAPK12 P53778 8/20 0.47
MAPK11 Q15759 8/20 0.47
MAPK14 Q16539 8/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
EGFR P00533 2/20 0.43
MAP4K4 O95819 1/20 0.43
ERBB2 P04626 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1D P48730 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
SLK Q9H2G2 1/20 0.43
ACHE P22303 1/20 0.43

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
Hydrochloric Acid SCHEMBL16986162 0.97 MAPT (0.52) MAPTPOLBRECQLALDH1A1KDM4E
SCHEMBL16986122 0.87 MPO (0.47) MAPTPOLBRECQLALDH1A1KDM4E
SCHEMBL16986138 0.86 KDM4E (0.51) MAPTPOLBRECQLALDH1A1KDM4E
Hydrochloric Acid SCHEMBL16986190 0.85 KDM4E (0.50) MAPTPOLBRECQLALDH1A1KDM4E
Hydrochloric Acid SCHEMBL16986215 0.85 MPO (0.45) MAPTPOLBRECQLALDH1A1KDM4E
Hydrochloric Acid SCHEMBL16986208 0.85 MPO (0.45) MAPTPOLBRECQLALDH1A1KDM4E
SCHEMBL16986206 0.85 KDM4E (0.43) MAPTPOLBRECQLALDH1A1KDM4E
Hydrochloric Acid SCHEMBL16986257 0.84 KDM4E (0.42) MAPTPOLBRECQLALDH1A1KDM4E
Hydrochloric Acid SCHEMBL16986204 0.84 KDM4E (0.50) MAPTALDH1A1KDM4EMAPK11MAPK14
SCHEMBL16986210 0.82 HRH3 (0.48) MAPTPOLBRECQLALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266864-A1 HETEROAROMATIC COMPOUNDS, METHOD FOR PREPARING THE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, USES AND METHOD FOR TREATING ACUTE AND CHRONIC PAIN CRISTÁLIA PRODUTOS QUÍMICOS FARMACÊUTICOS LTDA (BR) 2015-09-24 US claimed
EP-2905278-A1 HETEROAROMATIC COMPOUNDS, METHOD FOR PREPARING THE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, USES AND METHOD FOR TREATING ACUTE AND CHRONIC PAIN Cristália Produtos Químicos Farmacêuticos LTDA. (BR) 2015-08-12 EP claimed
US-20150266864-A1 HETEROAROMATIC COMPOUNDS, METHOD FOR PREPARING THE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, USES AND METHOD FOR TREATING ACUTE AND CHRONIC PAIN CRISTÁLIA PRODUTOS QUÍMICOS FARMACÊUTICOS LTDA (BR) 2015-09-24 US disclosed
EP-2905278-A1 HETEROAROMATIC COMPOUNDS, METHOD FOR PREPARING THE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, USES AND METHOD FOR TREATING ACUTE AND CHRONIC PAIN Cristália Produtos Químicos Farmacêuticos LTDA. (BR) 2015-08-12 EP 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-20150266864-A1 HETEROAROMATIC COMPOUNDS, METHOD FOR PREPARING THE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, USES AND METHOD FOR TREATING ACUTE AND CHRONIC PAIN TRPV1, AP1G1, INA MAPT 4001/4885POLB 3969/4885RECQL 2229/4885

“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.