SCHEMBL21471771

SCHEMBL21471771

O=C(NC1CC1)c1csc(C2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.52
MAOA P21397 4/20 0.52
RCOR1 Q9UKL0 2/20 0.50
MAOB P27338 2/20 0.47
HTT P42858 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.41
SMYD3 Q9H7B4 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL21471638 0.89 KDM1A (0.66) KDM1AMAOARCOR1MAOBHTT
SCHEMBL19976189 0.87 MAOB (0.64) KDM1AMAOARCOR1MAOB
SCHEMBL21471773 0.80 KDM1A (0.53) KDM1AMAOARCOR1
SCHEMBL20521778 0.79 SMYD3 (0.46) KDM1AMAOARCOR1MAOBHTT
SCHEMBL12124434 0.79 NPC1 (0.62) HTTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL21727185 0.77 PTGS1 (0.45) KDM1AMAOARCOR1HTTNPC1
Hydrochloric Acid SCHEMBL17158731 0.76 MAOA (0.62) KDM1AMAOARCOR1MAOBNPC1
Hydrochloric Acid SCHEMBL17158732 0.76 MAOA (0.62) KDM1AMAOARCOR1MAOBNPC1
SCHEMBL19156000 0.76 DAO (0.50) KDM1AMAOAMAPT
SCHEMBL23505853 0.76 RAB9A (0.64) KDM1ARCOR1HTTNPC1RAB9A

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-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

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-20190315735-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A KDM1A 1/4885MAOA 493/4885RCOR1 218/4885
US-10968213-B2 Cyclopropanamine compound and use thereof KDM1A, KDM1B, KDM2A KDM1A 1/4885MAOA 493/4885RCOR1 218/4885

“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.