SCHEMBL4142239

SCHEMBL4142239

CC(=O)c1ccc2c(c1)CCCC2N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.44
OPRD1 P41143 3/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRND Q07001 1/20 0.41
SMYD3 Q9H7B4 2/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B1 P14061 1/20 0.40

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
SCHEMBL13499144 1.00 ACHE (0.46) ACHENPC1RAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL3533109 0.98 ACHE (0.45) ACHENPC1RAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL3533107 0.97 ACHE (0.44) ACHENPC1RAB9AMAPTALDH1A1
SCHEMBL15630855 0.90 NPC1 (0.47) ACHENPC1RAB9AMAPTCHRNA1
SCHEMBL16838506 0.88 ACHE (0.56) ACHENPC1RAB9AMAPTALDH1A1
SCHEMBL5467633 0.86 ALDH1A1 (0.54) ACHEMAPTALDH1A1OPRD1SMYD3
SCHEMBL14117297 0.86 ALDH1A1 (0.54) ACHEMAPTALDH1A1OPRD1SMYD3
SCHEMBL15437821 0.86 KDM1A (0.46) ACHEALDH1A1OPRD1SMYD3
Hydrochloric Acid SCHEMBL12505566 0.84 ALDH1A1 (0.53) ACHEMAPTALDH1A1OPRD1SMYD3
Hydrochloric Acid SCHEMBL353579 0.84 ALDH1A1 (0.53) ACHEMAPTALDH1A1OPRD1SMYD3

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 ACHE 32/4885NPC1 465/4885RAB9A 2729/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 ACHE 32/4885NPC1 465/4885RAB9A 2729/4885

“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.