SCHEMBL13149986

SCHEMBL13149986

CCC(C(=O)N1CCN(C(C)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
ALDH1A1 P00352 5/20 0.64
CHRM1 P11229 7/20 0.60
CYP2D6 P10635 1/20 0.59
TSHR P16473 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 2/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 2/20 0.55
MC4R P32245 1/20 0.53
CHRM2 P08172 1/20 0.52
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL21169234 0.84 CYP2D6 (0.67) ALDH1A1CHRM1CYP2D6TSHRMC4R
SCHEMBL19002255 0.82 ALDH1A1 (0.74) ALDH1A1CHRM1CYP2D6MAPK1KDM4E
SCHEMBL27571753 0.81 CYP2D6 (0.71) ALDH1A1CHRM1CYP2D6NPSR1KDM4E
SCHEMBL19049380 0.80 KMT2A (0.73) ALDH1A1CHRM1CYP2D6TSHRNPSR1
SCHEMBL21383627 0.79 ALDH1A1 (0.68) GAAALDH1A1CHRM1TSHRL3MBTL1
SCHEMBL13429539 0.79 GAA (0.65) GAAALDH1A1CHRM1TSHRL3MBTL1
SCHEMBL5079984 0.78 CACNA2D1 (0.73) ALDH1A1CYP2D6
SCHEMBL18705002 0.78 CHRM1 (0.74) GAAALDH1A1CHRM1TSHR
SCHEMBL13149425 0.77 CHRM1 (0.56) ALDH1A1CHRM1CYP2D6KDM4EMC4R
SCHEMBL16226061 0.77 CYP2D6 (1.00) ALDH1A1CHRM1CYP2D6MC4RCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 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 (3 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-20070004750-A1 N-substituted piperazines PRXL2A, CNPY2, CYP4X1 GAA 4013/4885ALDH1A1 641/4885CHRM1 316/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 GAA 4013/4885ALDH1A1 641/4885CHRM1 316/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 GAA 4013/4885ALDH1A1 641/4885CHRM1 316/4885

“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.