SCHEMBL5109698

SCHEMBL5109698

NCC(COCc1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.54
IDO1 P14902 3/20 0.46
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
PLA2G1B P04054 1/20 0.41
POLB P06746 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PNMT P11086 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TDO2 P48775 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
NOS2 P35228 1/20 0.40

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
Hydrochloric Acid SCHEMBL1871875 0.99 TACR1 (0.53) TACR1IDO1NPC1ALDH1A1CYP2D6
SCHEMBL1879700 0.81 TACR1 (0.59) TACR1TAAR1
Hydrochloric Acid SCHEMBL1874510 0.80 TACR1 (0.57) TACR1
SCHEMBL5102451 0.78 TACR1 (0.47) TACR1IDO1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL1883137 0.77 TACR1 (0.46) TACR1IDO1CHRNB2CHRNA4
SCHEMBL5099163 0.77 TACR1 (0.70) TACR1
SCHEMBL5095821 0.77 TACR1 (0.52) TACR1IDO1TDO2
Hydrochloric Acid SCHEMBL1874446 0.75 TACR1 (0.51) TACR1IDO1TDO2
Hydrochloric Acid SCHEMBL1871311 0.75 TACR1 (0.68) TACR1
SCHEMBL5109834 0.75 TACR1 (0.42) TACR1NPC1PLA2G1BPOLBATG4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1870396-B1 BENZYLOXYPROPYLAMINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2012-10-31 EP disclosed
US-20080262230-A1 Benzyloxypropylamine Derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2008-10-23 US disclosed
EP-1870396-A1 BENZYLOXYPROPYLAMINE DERIVATIVE Nippon Zoki Pharmaceutical Co. Ltd. (JP) 2007-12-26 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-20080262230-A1 Benzyloxypropylamine Derivative BDKRB2, BDKRB1, PNMT TACR1 10/4885IDO1 1680/4885NPC1 1353/4885

“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.