SCHEMBL4197200

SCHEMBL4197200

C=CCN(C(CN)CCc1ccccc1OC)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
BCHE P06276 1/20 0.38
AOC3 Q16853 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
HPGD P15428 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL4197194 0.78 SLC6A2 (0.42) TAAR1BCHEAOC3HRH3MEN1
SCHEMBL1778321 0.70 ALDH1A1 (0.44) BCHEAOC3MEN1KMT2AALDH1A1
SCHEMBL9233468 0.69 SLC6A2 (0.43) TAAR1MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL18107005 0.67 AOC3 (0.42) BCHEAOC3HRH3MEN1KMT2A
SCHEMBL4197204 0.65 SLC6A2 (0.38) BCHEMEN1KMT2AALDH1A1HPGD
SCHEMBL30136331 0.64 TAAR1 (0.58) TAAR1AOC3HRH3KMT2AALDH1A1
SCHEMBL8062343 0.64 TAAR1 (0.58) TAAR1AOC3HRH3KMT2AALDH1A1
SCHEMBL11555598 0.63 TAAR1 (0.49) TAAR1AOC3HRH3MEN1KMT2A
SCHEMBL4817308 0.63 SLC18A2 (0.62) HRH3SIGMAR1
SCHEMBL30520870 0.62 TAAR1 (0.61) TAAR1AOC3HRH3KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 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-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL TAAR1 2139/4885BCHE 442/4885AOC3 3432/4885

“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.