SCHEMBL3144969

SCHEMBL3144969

CN(C)CCc1ccccc1CCl

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.64
HTR2A P28223 4/20 0.46
HTR1A P08908 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
AOC3 Q16853 2/20 0.46
HTR6 P50406 3/20 0.42
HRH3 Q9Y5N1 1/20 0.40
HRH1 P35367 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL3060544 0.80 TAAR1 (0.61) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL3064919 0.80 TAAR1 (0.61) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL8851121 0.78 TAAR1 (0.59) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL3052939 0.78 TAAR1 (1.00) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL3158472 0.77 SLC6A4 (0.50) HTR2A
SCHEMBL3052493 0.77 TAAR1 (0.57) TAAR1HTR2AHTR1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL9668097 0.76 SLC6A4 (0.49) HTR2A
SCHEMBL3064865 0.76 TAAR1 (0.61) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL29350459 0.75 TSHR (0.50) TAAR1
SCHEMBL150237 0.75 TSHR (0.50) TAAR1

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
EP-2154123-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-10-23 EP disclosed
CN-101679171-B Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2012-12-12 CN disclosed
US-7851659-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-14 US disclosed
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
CN-101679171-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN disclosed
EP-2154123-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-17 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-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, NQO2, NDUFC2 TAAR1 1331/4885HTR2A 1458/4885HTR1A 2393/4885

“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.