SCHEMBL3034895

SCHEMBL3034895

CN1CCC(=C2c3ccccc3CCc3c(C(=O)O)[c]sc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.53
MAPK1 P28482 2/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
CHRM2 P08172 6/20 0.50
CHRM1 P11229 6/20 0.50
HRH1 P35367 6/20 0.50
HTR2A P28223 5/20 0.50
HTR2C P28335 5/20 0.50
ADRA2A P08913 5/20 0.50
DRD1 P21728 5/20 0.50
ADRA1A P35348 5/20 0.50
DRD3 P35462 5/20 0.50
KCNH2 Q12809 5/20 0.50
DRD2 P14416 4/20 0.50
ADRA2B P18089 4/20 0.50
HTR2B P41595 4/20 0.50
LMNA P02545 4/20 0.50
HTR1A P08908 4/20 0.50

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 SCHEMBL3040538 0.85 SETD7 (0.46) SETD7MAPK1MEN1MAPTKMT2A
SCHEMBL3042776 0.84 SETD7 (0.45) SETD7MAPK1MEN1MAPTKMT2A
SCHEMBL3034892 0.75 KDM4E (0.65) SETD7MAPK1MEN1MAPTKMT2A
SCHEMBL14693489 0.75 SETD7 (0.50) SETD7MAPK1MEN1MAPTKMT2A
SCHEMBL7817056 0.72 SETD7 (1.00) SETD7MAPK1MEN1MAPTKMT2A
SCHEMBL11487349 0.71 SETD7 (0.66) SETD7MAPK1MEN1MAPTKMT2A
SCHEMBL29628060 0.71 SETD7 (0.66) SETD7MAPK1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL11118879 0.70 SETD7 (0.64) SETD7MAPK1MEN1MAPTKMT2A
SCHEMBL3044995 0.70 DRD3 (0.70) SETD7MAPK1MEN1MAPTKMT2A
SCHEMBL3046177 0.70 MAPK1 (0.60) SETD7MAPK1MEN1MAPTKMT2A

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-2243778-B1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2014-10-29 EP 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 SETD7 1033/4885MAPK1 3605/4885MEN1 4423/4885

“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.