SCHEMBL18173038

SCHEMBL18173038

O=C(O)N1CCC(CNC2CC2C=Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 19/20 0.65
HDAC6 Q9UBN7 12/20 0.49
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAOB P27338 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL18173033 1.00 KDM1A (0.65) KDM1AHDAC6LMNAGAAMAOB
SCHEMBL21049041 0.87 KDM1A (0.63) KDM1AHDAC6MAOBHDAC1HDAC8
SCHEMBL18182726 0.87 KDM1A (0.63) KDM1AHDAC6MAOBHDAC1HDAC8
SCHEMBL18172555 0.85 KDM1A (0.47) KDM1AHDAC6MAOB
SCHEMBL18172552 0.85 KDM1A (0.47) KDM1AHDAC6MAOB
SCHEMBL18182658 0.85 KDM4E (0.57) KDM1AHDAC6
SCHEMBL21049103 0.84 KDM1A (0.60) KDM1AHDAC6MAOBHDAC1HDAC8
SCHEMBL18182725 0.84 KDM1A (0.60) KDM1AHDAC6MAOBHDAC1HDAC8
SCHEMBL21088917 0.82 KDM1A (0.57) KDM1AHDAC6MAOBHDAC1HDAC8
SCHEMBL18182137 0.81 KDM1A (0.65) KDM1AHDAC6MAOBHDAC1HDAC8

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 96/4885LMNA 1196/4885

“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.