SCHEMBL19396014

SCHEMBL19396014

CC(C)Cc1ccc(CCN)o1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
TAAR1 Q96RJ0 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
ALOX5 P09917 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL17549006 0.86 TAAR1 (0.38) TAAR1CYP2A6ALOX5
SCHEMBL407650 0.84 POLB (0.39) POLBL3MBTL1NPC1RAB9AALOX5
SCHEMBL15546625 0.82 TAAR1 (0.39) L3MBTL1PRMT6TAAR1CYP1A2CYP2A6
SCHEMBL20620458 0.81 ALOX5 (0.35) POLBL3MBTL1NPC1RAB9AALOX5
SCHEMBL19395990 0.78 TAAR1 (0.41) POLBL3MBTL1TAAR1CYP2A6
SCHEMBL459430 0.76 CHRM2 (0.36) POLBL3MBTL1NPC1RAB9AALOX5
SCHEMBL19396000 0.76 TAAR1 (0.39) POLBNPC1RAB9APRMT6TAAR1
SCHEMBL19248476 0.76 TAAR1 (0.44) NPC1RAB9APRMT6TAAR1CYP1A2
SCHEMBL17537872 0.75 CYP2A6 (0.45) L3MBTL1PRMT6TAAR1CYP1A2CYP2A6
SCHEMBL13541829 0.74 ALDH1A1 (0.42) POLBL3MBTL1NPC1RAB9ACYP1A2

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-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF MICROMIDAS, INC. (US) 2017-09-28 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-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF DDC, DDT, DAO POLB 2749/4885L3MBTL1 4229/4885NPC1 2686/4885

“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.