SCHEMBL18173429

SCHEMBL18173429

[CH2]C1CCN(Cc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.56
KDM1A O60341 4/20 0.54
DRD2 P14416 2/20 0.52
MAOB P27338 1/20 0.52
HTR2A P28223 1/20 0.52
SLC6A4 P31645 1/20 0.52
SCN5A Q14524 1/20 0.52
GAA P10253 1/20 0.51
HRH1 P35367 1/20 0.49
CCR3 P51677 1/20 0.49
KCNH2 Q12809 1/20 0.49
CHRM4 P08173 1/20 0.49
MBTD1 Q05BQ5 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DRD4 P21917 1/20 0.48

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
SCHEMBL20527292 0.86 GAA (0.64) MAOBHTR2AGAAKCNH2MBTD1
SCHEMBL2273759 0.85 KDM1A (0.55) LTA4HKDM1ADRD2MAOBHTR2A
SCHEMBL13266923 0.84 HRH3 (0.58) LTA4HKDM1ADRD2MAOBHTR2A
SCHEMBL10074441 0.84 HDAC1 (0.62) LTA4HGAAKCNH2L3MBTL1
SCHEMBL14032722 0.84 HRH3 (0.65) LTA4HKDM1ADRD2MAOBHTR2A
SCHEMBL12813692 0.83 KDM1A (0.57) KDM1ADRD2MAOBHTR2ASLC6A4
SCHEMBL12965517 0.83 GAA (0.60) LTA4HKDM1ADRD2MAOBHTR2A
SCHEMBL20527329 0.82 HDAC1 (0.53) DRD2KCNH2CHRM4
SCHEMBL24274178 0.81 KDM4E (0.65) LTA4HKDM1AHTR2AGAA
SCHEMBL12813925 0.81 KDM1A (0.52) LTA4HKDM1ADRD2MAOBHTR2A

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 6 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 claimed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US claimed
EP-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP claimed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 WO claimed
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

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 LTA4H 3260/4885KDM1A 2/4885DRD2 4649/4885

“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.