SCHEMBL20527329

SCHEMBL20527329

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
CHRM4 P08173 1/20 0.51
ACHE P22303 1/20 0.50
OPRD1 P41143 1/20 0.48
MCHR1 Q99705 2/20 0.48
CYP2D6 P10635 1/20 0.47
DRD2 P14416 1/20 0.47
KCNH2 Q12809 1/20 0.47
CHRM2 P08172 3/20 0.47
CHRM3 P20309 3/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL15800060 0.84 HDAC1 (0.52) HDAC1CHRM4ACHEOPRD1MCHR1
SCHEMBL15800205 0.83 KDM4E (0.67) HDAC1ACHEDRD2KCNH2CHRM2
SCHEMBL18173429 0.82 LTA4H (0.56) CHRM4DRD2KCNH2
SCHEMBL13726472 0.82 HRH3 (0.51) HDAC1CHRM4ACHEOPRD1DRD2
SCHEMBL20527292 0.81 GAA (0.64) HDAC1OPRD1KCNH2HRH3KDM4E
SCHEMBL13728322 0.77 HRH3 (0.61) HDAC1MCHR1HRH3KDM4EALDH1A1
SCHEMBL28175300 0.77 KDM4E (0.50) HDAC1CHRM4DRD2HRH3KDM4E
SCHEMBL14475381 0.75 DRD2 (0.48) HDAC1MCHR1DRD2KCNH2KDM4E
SCHEMBL8319123 0.75 ALDH1A1 (0.59) ACHEDRD2HRH3ALDH1A1
SCHEMBL27997282 0.74 KDM4E (0.61) ACHEMCHR1CYP2D6CHRM2HRH3

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 claimed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US 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 HDAC1 11/4885CHRM4 3221/4885ACHE 3248/4885

“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.