SCHEMBL3042897

SCHEMBL3042897

CCOC(=O)c1ccc2c(c1)C(=C1CCN(C)CC1)c1sccc1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
DRD3 P35462 4/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 4/20 0.40
CHRM2 P08172 3/20 0.40
ADRA2A P08913 3/20 0.40
CHRM1 P11229 3/20 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
SCHEMBL3046574 0.92 SRD5A1 (0.39) CYP2C9MAPK1ALDH1A1KDM4EHSD17B10
SCHEMBL14693636 0.88 DRD3 (0.55) CYP2C9MAPK1ALDH1A1KDM4EHSD17B10
SCHEMBL3050531 0.85 MAPK1 (0.47) MAPK1ALDH1A1DRD3MAPTMEN1
SCHEMBL11458444 0.84 SETD7 (0.57) MAPK1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL3044463 0.78 MAPK1 (0.38) MAPK1ALDH1A1POLBDRD3MAPT
Hydrochloric Acid SCHEMBL3037285 0.76 CYP2D6 (0.45) MAPK1ALDH1A1KDM4EHSD17B10DRD3
SCHEMBL10809444 0.75 SETD7 (0.59) CYP2C9MAPK1ALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL14693649 0.75 CYP2D6 (0.44) MAPK1DRD3MAPTMEN1KMT2A
SCHEMBL3134805 0.74 SETD7 (0.47) MAPK1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL3044995 0.72 DRD3 (0.70) MAPK1ALDH1A1HSD17B10DRD3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243778-B1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2014-10-29 EP disclosed
US-8377967-B2 Piperidine derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2013-02-19 US disclosed
US-20100331365-A1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 US disclosed
EP-2243778-A1 PIPERIDINE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2010-10-27 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-20100331365-A1 PIPERIDINE DERIVATIVE HRH4, HRH3, HRH2 CYP2C9 1180/4885MAPK1 3605/4885ALDH1A1 1730/4885

“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.