SCHEMBL2390987

SCHEMBL2390987

C[C@@H]1N(C(=O)OCc2ccccc2)CC[C@@]1(O)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTR2C P28335 1/20 0.47
CYP2C19 P33261 1/20 0.46
PREP P48147 1/20 0.45
ACE2 Q9BYF1 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
SCHEMBL2393741 0.86 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL2394393 0.85 ACE2 (0.47) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL2388726 0.85 ACE2 (0.47) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL1643460 0.85 HTR2C (0.51) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL2393739 0.82 PDK1 (0.51) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL2389658 0.81 HTR2C (0.48) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL2395087 0.80 HTR2C (0.46) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL6745607 0.79 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL19506503 0.77 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL2211932 0.77 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098507-B1 Cyclic amine compound as androgen receptor modulator TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 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-20100087506-A1 CYCLIC AMINE COMPOUND AR, FSHR, NR5A1 SMN1; SMN2 3154/4885NPC1 2764/4885RAB9A 2308/4885

“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.