SCHEMBL18173483

SCHEMBL18173483

C/C(=C\c1ccccc1)[C@@H]1C[C@H]1NCC1CCN(CCC(=O)O)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 20/20 0.63
HDAC6 Q9UBN7 3/20 0.42
MAOB P27338 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
SCN5A Q14524 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
SCHEMBL18173484 1.00 KDM1A (0.63) KDM1AHDAC6MAOBDRD2HTR2A
SCHEMBL20527352 1.00 KDM1A (0.63) KDM1AHDAC6MAOBDRD2HTR2A
SCHEMBL18173485 1.00 KDM1A (0.63) KDM1AHDAC6MAOBDRD2HTR2A
SCHEMBL18173482 1.00 KDM1A (0.63) KDM1AHDAC6MAOBDRD2HTR2A
SCHEMBL21088487 1.00 KDM1A (0.63) KDM1AHDAC6MAOBDRD2HTR2A
Hydrochloric Acid SCHEMBL20527626 0.99 KDM1A (0.62) KDM1AHDAC6MAOBDRD2HTR2A
Hydrochloric Acid SCHEMBL18172748 0.99 KDM1A (0.62) KDM1AHDAC6MAOBDRD2HTR2A
Hydrochloric Acid SCHEMBL18172739 0.99 KDM1A (0.62) KDM1AHDAC6MAOBDRD2HTR2A
Hydrochloric Acid SCHEMBL18172742 0.99 KDM1A (0.62) KDM1AHDAC6MAOBDRD2HTR2A
Hydrochloric Acid SCHEMBL18172745 0.99 KDM1A (0.62) KDM1AHDAC6MAOBDRD2HTR2A

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 5 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
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 96/4885MAOB 241/4885

“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.