SCHEMBL13397148

SCHEMBL13397148

c1ccc(CN[C@H]2C3CC4CC2C[C@H](C4)C3)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.67
EPHX2 P34913 5/20 0.59
HRH2 P25021 1/20 0.53
ADRA1B P35368 1/20 0.53
OPRK1 P41145 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TACR1 P25103 4/20 0.49
CXCR3 P49682 1/20 0.49
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
HSD11B1 P28845 1/20 0.47
FUCA1 P04066 1/20 0.46
GRIN2B Q13224 1/20 0.44

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
SCHEMBL3359767 1.00 SMN1; SMN2 (0.67) SMN1; SMN2EPHX2HRH2ADRA1BOPRK1
SCHEMBL12875947 1.00 SMN1; SMN2 (0.67) SMN1; SMN2EPHX2HRH2ADRA1BOPRK1
SCHEMBL24208711 0.84 TDP1 (0.55) SMN1; SMN2EPHX2CXCR3MAOAHSD11B1
SCHEMBL3360579 0.81 SMN1; SMN2 (0.97) SMN1; SMN2EPHX2CXCR3KDM1AMAOA
SCHEMBL3363980 0.81 SMN1; SMN2 (0.63) SMN1; SMN2EPHX2CXCR3KDM1A
SCHEMBL3360454 0.81 SMN1; SMN2 (0.63) SMN1; SMN2EPHX2CXCR3KDM1AMAOA
SCHEMBL9720812 0.81 SMN1; SMN2 (0.63) SMN1; SMN2EPHX2CXCR3
SCHEMBL12887817 0.81 EPHX2 (0.49) SMN1; SMN2EPHX2HRH2ADRA1BOPRK1
SCHEMBL3359980 0.80 SLC6A2 (0.59) SMN1; SMN2EPHX2HRH2OPRK1SLC6A3
SCHEMBL3358972 0.80 KDM1A (0.54) SMN1; SMN2EPHX2HRH2SLC6A3KDM1A

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-20100105923-A1 PROCESS FOR PRODUCTION OF HYDROXYADAMANTANEAMINE SHIONOGI & CO., LTD. (JP) 2010-04-29 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-20100105923-A1 PROCESS FOR PRODUCTION OF HYDROXYADAMANTANEAMINE HAAO, CYP4A11, CYP4F11 SMN1; SMN2 4475/4885EPHX2 2050/4885HRH2 510/4885

“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.