SCHEMBL18353151

SCHEMBL18353151

CC(C)c1cc2c(c(C(C)(C)C)c1)OCC2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX5 P09917 2/20 0.32
PARP1 P09874 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
SCHEMBL16259558 0.78 PTGS1 (0.34) PTGS1PTGS2CYP1A2CYP2D6ALOX5
SCHEMBL16259614 0.78 CYP1A2 (0.33) PTGS1PTGS2CYP1A2CYP2D6
SCHEMBL25451136 0.77 PTGS1 (0.50) PTGS1PTGS2CYP2D6ALOX5PARP1
SCHEMBL13054422 0.77 FABP4 (0.39) PARP1
SCHEMBL17178079 0.77 PARP1 (0.33) PTGS1PTGS2PARP1
SCHEMBL10460194 0.76 PTGS1 (0.49) PTGS1PTGS2CYP1A2ALOX5PARP1
SCHEMBL19505262 0.76 PARP1 (0.50) PTGS1PTGS2ALOX5PARP1
SCHEMBL25952453 0.76 PTGS1 (0.49) PTGS1PTGS2ALOX5PARP1
SCHEMBL26756640 0.76 PARP1 (0.36) PARP1
SCHEMBL820526 0.76 PTGS1 (0.46) PTGS1PTGS2ALOX5PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179603-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-06-17 US disclosed
US-10968213-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-06 US disclosed
US-20190315735-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2019-10-17 US disclosed
US-20180162853-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2018-06-14 US disclosed
US-9920047-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-20 US disclosed
US-9920047-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-20 US disclosed
US-20170001994-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2017-01-05 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 (5 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-20190315735-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A PTGS1 1646/4885PTGS2 2927/4885CYP1A2 3571/4885
US-20180162853-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A PTGS1 1646/4885PTGS2 2927/4885CYP1A2 3571/4885
US-20210179603-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A PTGS1 1646/4885PTGS2 2927/4885CYP1A2 3571/4885
US-10968213-B2 Cyclopropanamine compound and use thereof KDM1A, KDM1B, KDM2A PTGS1 1646/4885PTGS2 2927/4885CYP1A2 3571/4885
US-20170001994-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A PTGS1 1646/4885PTGS2 2927/4885CYP1A2 3571/4885

“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.