SCHEMBL18509357

SCHEMBL18509357

CC1CCC(c2ncccn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
KMT2A Q03164 2/20 0.34
OPRL1 P41146 2/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
RPS6KA3 P51812 1/20 0.33
OPRM1 P35372 1/20 0.33
CHRM3 P20309 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE10A Q9Y233 1/20 0.32
HCRTR2 O43614 2/20 0.32
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
P2RX7 Q99572 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL935722 0.87
SCHEMBL26176597 0.86 OPRM1 (0.34) ESR2OPRL1OPRM1HCRTR2KDM4E
Fluoromethane SCHEMBL28832696 0.85 PDE10A (0.34) OPRL1OPRM1PDE10AHCRTR2KDM4E
Hydrochloric Acid SCHEMBL29162507 0.85 OPRL1 (0.36) OPRL1OPRM1CHRM3PDE4APDE4B
SCHEMBL10000243 0.77 ESR2 (0.36) ESR2CHRM3PDE4APDE4BPDE4C
SCHEMBL1444138 0.77 KDM4E (0.38) OPRL1OPRM1KDM4EHTTGAA
SCHEMBL676894 0.77 KDM4E (0.43) KMT2AOPRL1OPRM1MEN1TSHR
SCHEMBL2330201 0.76 ESR2 (0.40) ESR2OPRL1OPRM1CHRM3PDE10A
SCHEMBL28044025 0.76 ESR2 (0.40) ESR2OPRL1OPRM1CHRM3PDE10A
SCHEMBL21755094 0.76 OPRL1 (0.37) KMT2AOPRL1CHRM3PDE4APDE4B

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-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-16 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-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 ESR2 24/4885KMT2A 2414/4885OPRL1 110/4885

“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.