SCHEMBL15919018

SCHEMBL15919018

Cc1ccc(C(C)CCN)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
TRPA1 O75762 1/20 0.38
LMNA P02545 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
CARM1 Q86X55 1/20 0.36
CASR P41180 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9688997 0.81 SRC (0.41) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL17277619 0.78 SRC (0.36) SRCTAAR1TRPA1LMNACHRM1
SCHEMBL28263806 0.78 TSHR (0.42) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL20725099 0.77 TAAR1 (0.44) SRCTAAR1TDP1CYP2A6
SCHEMBL17755167 0.76 ESR1 (0.43) TAAR1LMNAHTR2BCYP1A2
SCHEMBL20738712 0.76 TRPA1 (0.45) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL6547130 0.75 NR3C1 (0.50) LMNATDP1ALDH1A1CYP1A2
SCHEMBL28599084 0.74 KDM4E (0.40) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL8996446 0.73 NR3C1 (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL15919015 0.73 TRPA1 (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A

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
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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 (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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 SRC 2811/4885TAAR1 502/4885TRPA1 467/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 SRC 2811/4885TAAR1 502/4885TRPA1 467/4885

“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.