SCHEMBL20259463

SCHEMBL20259463

CCc1cc(C(C)C)cc2c1CCO2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
MTNR1A P48039 5/20 0.32
MTNR1B P49286 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21472135 0.83 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL17127617 0.78 PTGS1 (0.38) PTGS1PTGS2MTNR1ASMN1; SMN2NPSR1
SCHEMBL13054417 0.77 FABP4 (0.39) PTGS1PTGS2FABP3FABP4FABP5
SCHEMBL17178032 0.77 PTGS1 (0.33) PTGS1PTGS2HTR2AHTR2CHTR2B
SCHEMBL26700316 0.76 EIF4A3 (0.34) PTGS1PTGS2SMN1; SMN2HTR2AHTR2C
SCHEMBL18353323 0.73 CYP1A2 (0.36) PTGS1PTGS2
SCHEMBL19155805 0.73 PARP1 (0.34) PTGS1PTGS2FABP3FABP4FABP5
SCHEMBL801756 0.72 PTGS1 (0.30) PTGS1PTGS2
SCHEMBL21135053 0.69 OGA (0.32)
SCHEMBL21134900 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414761-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-17 US disclosed
US-20180162853-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2018-06-14 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 (2 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-20180162853-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A PTGS1 1646/4885PTGS2 2927/4885FABP3 4471/4885
US-10414761-B2 Cyclopropanamine compound and use thereof KDM1A, KDM1B, KDM2A PTGS1 1646/4885PTGS2 2927/4885FABP3 4471/4885

“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.