SCHEMBL18172555

SCHEMBL18172555

O=C(O)N1CCC(CNC2CC2C=Cc2ccccc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 16/20 0.47
HDAC6 Q9UBN7 9/20 0.41
C3AR1 Q16581 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
RCOR1 Q9UKL0 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
SCN5A Q14524 1/20 0.37

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
SCHEMBL18172552 1.00 KDM1A (0.47) KDM1AHDAC6C3AR1CYP2C9CYP2C19
SCHEMBL18173033 0.85 KDM1A (0.65) KDM1AHDAC6MAOB
SCHEMBL18173038 0.85 KDM1A (0.65) KDM1AHDAC6MAOB
SCHEMBL18172887 0.85 KDM4E (0.51) KDM1AMAOA
SCHEMBL18172890 0.85 KDM4E (0.51) KDM1AMAOA
SCHEMBL21049174 0.80 KDM1A (0.70) KDM1AMAOAMAOB
SCHEMBL18183004 0.80 KDM1A (0.70) KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL18172519 0.79 KDM1A (0.68) KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL18172517 0.79 KDM1A (0.68) KDM1AMAOAMAOB
SCHEMBL19994571 0.76 MAOA (0.56) C3AR1CYP2C9CYP2C19MAPK14MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US disclosed
EP-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 WO 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-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF KDM1B, KDM1A, KDM2A KDM1A 2/4885HDAC6 96/4885C3AR1 4795/4885

“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.