SCHEMBL18151896

SCHEMBL18151896

CN(C)CCOc1ccc(-c2ccc(Cl)cc2)c(CN2CCN(C(=O)O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 1/20 0.47
FAAH O00519 2/20 0.46
HRH3 Q9Y5N1 2/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KCNA5 P22460 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 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
SCHEMBL2481677 0.88 VEGFA (0.48) KDM4EALDH1A1FAAHHRH3HRH2
SCHEMBL1955979 0.84 HRH3 (0.46) KDM4EALDH1A1HRH3CYP1A2CYP3A4
SCHEMBL1957376 0.79 BCL2 (0.52) BCL2
SCHEMBL1956370 0.78 BCL2 (0.53) BCL2
SCHEMBL1956294 0.78 BCL2 (0.54) BCL2BCL2L1
SCHEMBL28791299 0.76 BCL2 (0.49) BCL2
SCHEMBL1958171 0.75 BCL2 (0.55) BCL2
SCHEMBL1958663 0.74 BCL2 (0.48) BCL2
SCHEMBL1959356 0.74 BCL2 (0.52) BCL2BCL2L1
SCHEMBL1958329 0.74 HTR7 (0.55) KDM4EALDH1A1FAAHBCL2BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-09-06 US disclosed
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-10-20 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 (2 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-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KDM4E 3629/4885ALDH1A1 4257/4885FAAH 3727/4885
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KDM4E 3629/4885ALDH1A1 4257/4885FAAH 3727/4885

“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.