SCHEMBL16018997

SCHEMBL16018997

CC1(C)CCc2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL22743930 0.81 OPRL1 (0.46) OPRL1KCNH2NOS3NOS1NOS2
SCHEMBL30656312 0.81 OPRL1 (0.46) OPRL1KCNH2NOS3NOS1NOS2
SCHEMBL13330631 0.78 OPRL1 (0.37) OPRL1OPRK1KCNH2IDH1CYP11B1
SCHEMBL24576052 0.77 HTR2A (0.37) HTR2AHTR2CHTR2BALDH1A1SMN1; SMN2
SCHEMBL17231942 0.77 KDM4E (0.33) OPRL1ALDH1A1IDH1SIGMAR1KDM4E
SCHEMBL22744474 0.77 OPRL1 (0.32) OPRL1IDH1
SCHEMBL24576051 0.77 HTR2A (0.44) OPRL1HTR2AHTR2CHTR2BCHRM2
SCHEMBL24125123 0.74 KDM1A (0.36) OPRL1KCNH2SIGMAR1KMT2A
SCHEMBL23364950 0.74 CYP1A2 (0.41) OPRL1DRD2HRH1KCNH2SIGMAR1
SCHEMBL23364949 0.74 CYP1A2 (0.41) OPRL1DRD2HRH1KCNH2SIGMAR1

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
US-9290515-B2 Cephem derivative having catechol group SHIONOGI & CO., LTD (JP) 2016-03-22 US disclosed
US-9290515-B2 Cephem derivative having catechol group SHIONOGI & CO., LTD (JP) 2016-03-22 US disclosed
US-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2014-09-11 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-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP COMT, CEP170, SLC6A3 OPRL1 468/4885HTR2A 1198/4885HTR2C 629/4885

“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.