SCHEMBL4148595

SCHEMBL4148595

CC(NCC(C)(C)C)c1ccc2c(c1)CCCC2N

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.33
ACHE P22303 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4146772 0.86 PARP1 (0.36) OPRD1ACHEALDH1A1LMNA
SCHEMBL4145570 0.86 OPRD1 (0.33) OPRD1ACHEALDH1A1KMT2AHSP90AA1
SCHEMBL3538646 0.84 ACHE (0.34) OPRD1ACHEALDH1A1KMT2AHSP90AA1
SCHEMBL4146221 0.82 ACHE (0.36) OPRD1ACHEALDH1A1KMT2AHSP90AA1
SCHEMBL4152497 0.81 HTR6 (0.37) OPRD1ACHEALDH1A1KMT2AHSP90AA1
SCHEMBL4145997 0.80 GAA (0.42) OPRD1ACHEALDH1A1KMT2AHSP90AA1
SCHEMBL4146069 0.79 GAA (0.44) OPRD1ACHEALDH1A1KMT2AHSP90AA1
SCHEMBL4145688 0.79 GAA (0.48) OPRD1ACHEALDH1A1KMT2AHSP90AA1
SCHEMBL10257602 0.79 CHRNB2 (0.39) OPRD1ACHEALDH1A1KMT2AGAA
SCHEMBL10257512 0.79 CHRNB2 (0.39) OPRD1ACHEALDH1A1KMT2AGAA

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
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
EP-1631542-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF Amgen, Inc. (US) 2006-03-08 EP disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 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 (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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 OPRD1 390/4885ACHE 32/4885ALDH1A1 353/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 OPRD1 390/4885ACHE 32/4885ALDH1A1 353/4885

“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.