SCHEMBL24199876

SCHEMBL24199876

COc1ccc(CN2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.68
FAAH O00519 2/20 0.63
ALDH1A1 P00352 2/20 0.60
KDM1A O60341 1/20 0.59
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL22418877 0.90 SIGMAR1 (0.55) SIGMAR1FAAHALDH1A1KDM1AKDM4E
SCHEMBL1704512 0.85 ALDH1A1 (0.66) FAAHALDH1A1POLBLMNAHTT
SCHEMBL4192541 0.85 KMT2A (0.56) FAAHALDH1A1KDM4ELMNAHTT
SCHEMBL20353635 0.85 FAAH (0.60) FAAHKDM1A
SCHEMBL24200046 0.84 NPSR1 (0.58) ALDH1A1KDM4EPKMHRH3LMNA
SCHEMBL29132192 0.84 FNTA (0.52) ALDH1A1LMNAHTT
SCHEMBL29132085 0.84 SIGMAR1 (0.59) SIGMAR1FAAHALDH1A1KDM4ELMNA
SCHEMBL4188535 0.83 FAAH (0.54) FAAHALDH1A1HRH3CYP2D6
SCHEMBL4595454 0.83 KMT2A (0.57) FAAHALDH1A1KDM4ELMNATSHR
SCHEMBL25263528 0.83 MMP9 (0.50) SIGMAR1ALDH1A1KDM1ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127206-A1 METHOD FOR INTRODUCING DEUTERATED LOWER ALKYL INTO AMINE MOIETY OF COMPOUND CONTAINING SECONDARY AMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-04-28 US disclosed
EP-3939954-A1 METHOD FOR INTRODUCING DEUTERATED LOWER ALKYL INTO AMINE MOIETY OF COMPOUND CONTAINING SECONDARY AMINE Otsuka Pharmaceutical Co., Ltd. (JP) 2022-01-19 EP disclosed
CN-113518771-A Method for introducing deuterated lower alkyl into amine part of compound containing secondary amine 大塚制药株式会社 2021-10-19 CN 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-20220127206-A1 METHOD FOR INTRODUCING DEUTERATED LOWER ALKYL INTO AMINE MOIETY OF COMPOUND CONTAINING SECONDARY AMINE MGMT, FANCD2, ADAR SIGMAR1 2839/4885FAAH 533/4885ALDH1A1 2354/4885

“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.