SCHEMBL20939899

SCHEMBL20939899

Cc1ccc(C(C)CN)cc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TRPA1 O75762 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PBK Q96KB5 5/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL18653134 0.82 LMNA (0.41) ALDH1A1LMNATRPA1PTGS1CACNA1C
SCHEMBL29503546 0.80 ALDH1A1 (0.50) ALDH1A1LMNATRPA1PTGS1CACNA1C
SCHEMBL11057467 0.80 ALDH1A1 (0.50) ALDH1A1LMNATRPA1PTGS1CACNA1C
SCHEMBL20969576 0.79 SLC6A2 (0.43) TAAR1PBK
SCHEMBL17086648 0.78 ABCB11 (0.50) ALDH1A1LMNATRPA1PTGS1CACNA1C
SCHEMBL11663305 0.78 ALDH1A1 (0.39) TAAR1ALDH1A1LMNATRPA1PTGS1
SCHEMBL3006604 0.78 TAAR1 (0.75) TAAR1ALDH1A1ALOX15HTR2AHTR2C
SCHEMBL18653239 0.77 LMNA (0.38) ALDH1A1LMNATRPA1PTGS1CACNA1C
SCHEMBL4983544 0.76 TDP1 (0.41) ALDH1A1LMNAHSD17B10TP53
Hydrochloric Acid SCHEMBL6564727 0.76 TAAR1 (0.71) TAAR1ALOX15HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3439477-B1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-06 EP disclosed
US-20190119312-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-04-25 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-20190119312-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OSBP, OCIAD1, OCIAD2 TAAR1 441/4885ALDH1A1 268/4885LMNA 2967/4885

“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.