SCHEMBL17979331

SCHEMBL17979331

Clc1nccc(OCCOc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.47
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
RECQL P46063 1/20 0.42
GBA1 P04062 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 2/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL190518 0.79 PLAAT3 (0.48) RAB9AALDH1A1GAANPC1TSHR
SCHEMBL2017242 0.78 TSHR (0.39) ALDH1A1TSHRL3MBTL1
SCHEMBL1163924 0.76 ALKBH1 (0.47) ALDH1A1PKMNPC1TSHRL3MBTL1
SCHEMBL11306777 0.76 HTR7 (0.51) ALDH1A1DRD2DRD4DRD3
SCHEMBL16885185 0.76 NUDT1 (0.37) RAB9AMAPTALDH1A1LMNANPC1
SCHEMBL2014330 0.76 RECQL (0.38) ALDH1A1RECQL
SCHEMBL3059054 0.76 MAPT (0.36) MAPTGAAL3MBTL1
SCHEMBL17898216 0.75 KCNH2 (0.61) KCNA3RAB9AMAPTNPC1TSHR
SCHEMBL10643248 0.74 KCNA3 (0.50) KCNA3RAB9AMAPTALDH1A1TAAR1
SCHEMBL22576250 0.74 MAPT (0.44) MAPTALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399948-B2 Negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2019-09-03 US disclosed
US-10399948-B2 Negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2019-09-03 US disclosed
US-20180022712-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2018-01-25 US disclosed
US-20180022712-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2018-01-25 US disclosed
WO-2016130652-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY (US) 2016-08-18 WO disclosed
WO-2016130652-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY (US) 2016-08-18 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 (2 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-20180022712-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 GRM3, GRM1, GRIN3A KCNA3 633/4885RAB9A 1329/4885MAPT 277/4885
US-10399948-B2 Negative allosteric modulators of metabotropic glutamate receptor 3 GRM3, GRM1, GRIN3A KCNA3 633/4885RAB9A 1329/4885MAPT 277/4885

“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.