SCHEMBL21471773

SCHEMBL21471773

O=C(NC1CCN(CC(F)(F)F)CC1)c1csc(C2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.53
HPGDS O60760 12/20 0.52
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
MCHR1 Q99705 1/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
RCOR1 Q9UKL0 2/20 0.42
MAOA P21397 1/20 0.41

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
SCHEMBL17159251 0.86 KDM1A (0.60) KDM1AHPGDSRCOR1MAOA
SCHEMBL17158999 0.83 MAOA (0.66) KDM1AHPGDSRCOR1MAOA
SCHEMBL17159122 0.83 KDM1A (0.66) KDM1AHPGDSRCOR1MAOA
SCHEMBL17159150 0.83 KDM1A (0.68) KDM1ARCOR1MAOA
SCHEMBL17159387 0.81 MAOA (0.57) KDM1AHPGDSRCOR1MAOA
SCHEMBL17159253 0.80 MAOB (0.69) KDM1ARCOR1MAOA
SCHEMBL21471771 0.80 KDM1A (0.52) KDM1ARCOR1MAOA
SCHEMBL17158782 0.79 KDM1A (0.73) KDM1ARCOR1MAOA
SCHEMBL17159195 0.79 KDM1A (0.73) KDM1ARCOR1MAOA
Hydrochloric Acid SCHEMBL17158677 0.78 KDM1A (0.72) KDM1ARCOR1MAOA

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 1/4885HPGDS 2784/4885ROCK2 1405/4885
US-10968213-B2 Cyclopropanamine compound and use thereof KDM1A, KDM1B, KDM2A KDM1A 1/4885HPGDS 2784/4885ROCK2 1405/4885

“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.