SCHEMBL16876735

SCHEMBL16876735

O=C1Nc2ccccc2C1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.52
▸ DRD2 P14416 3/20 0.52
▸ SIGMAR1 Q99720 2/20 0.49
▸ HTR7 P34969 2/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ ACHE P22303 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ TSHR P16473 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
SCHEMBL4418074 0.79 TSHR (0.50) DRD2HTR7ALDH1A1DRD1HTR2A
SCHEMBL29325434 0.77 ACHE (0.45) DRD4DRD2SIGMAR1ACHESMN1; SMN2
SCHEMBL9389114 0.77 HTR7 (0.69) DRD4DRD2HTR7DRD3DRD1
SCHEMBL16876680 0.77 ALDH1A1 (0.44) DRD2SIGMAR1HTR7SMN1; SMN2ALDH1A1
SCHEMBL18324882 0.75 ALDH1A1 (0.41) DRD2HTR7ALDH1A1DRD1HTR2A
SCHEMBL6168606 0.74 OPRL1 (0.52) DRD4DRD2DRD3ACHE
SCHEMBL2980052 0.74 ACHE (0.47) DRD4DRD2SIGMAR1DRD3ACHE
SCHEMBL29445321 0.74 OPRL1 (0.52) DRD4DRD2DRD3ACHE
SCHEMBL15649236 0.74 ACHE (0.47) DRD4DRD2SIGMAR1DRD3ACHE
SCHEMBL11201755 0.73 DRD4 (0.67) DRD4DRD2SIGMAR1DRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 — — US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 — — US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 — — US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 — — US disclosed
EP-3092228-A1 TRPA1 MODULATORS Algomedix, Inc. (US) 2016-11-16 — — EP disclosed
WO-2015103060-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2015-07-09 — — WO disclosed
WO-2015103060-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2015-07-09 — — 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 (3 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-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 DRD4 2266/4885DRD2 1062/4885SIGMAR1 147/4885
US-20170001983-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 DRD4 2266/4885DRD2 1062/4885SIGMAR1 147/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 DRD4 2266/4885DRD2 1062/4885SIGMAR1 147/4885

“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.

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