SCHEMBL17274263

SCHEMBL17274263

C=CCC1(N)CCCCN1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SIGMAR1 Q99720 3/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
OPRL1 P41146 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL7521241 0.77 CD274 (0.51) TSHRKMT2AMEN1CD274
SCHEMBL27418793 0.73 OPRL1 (0.44) TSHRSIGMAR1CYP3A4HSD17B10OPRL1
Hydrochloric Acid SCHEMBL27395801 0.72 POLB (0.45) KMT2AMEN1SIGMAR1CYP3A4HSD17B10
SCHEMBL831288 0.72 CYP3A4 (0.53) TSHRKMT2AMEN1SIGMAR1CYP3A4
SCHEMBL30924710 0.72 SIGMAR1 (0.45) TSHRKMT2AMEN1SIGMAR1CYP3A4
SCHEMBL22394900 0.70 KMT2A (0.44) TSHRKMT2AMEN1SIGMAR1CYP3A4
SCHEMBL26619967 0.70 SIGMAR1 (0.44) TSHRKMT2AMEN1SIGMAR1CYP3A4
Ammonia Solution, Strong SCHEMBL7292476 0.69 SIGMAR1 (0.42) TSHRKMT2AMEN1SIGMAR1CYP3A4
SCHEMBL30665632 0.69 KMT2A (0.43) TSHRKMT2AMEN1SIGMAR1CYP3A4
SCHEMBL5592149 0.69 OPRL1 (0.46) TSHRKMT2AMEN1SIGMAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640494-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NORTHEASTERN UNIVERSITY (US) 2020-05-05 US disclosed
US-20180222894-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2018-08-09 US disclosed
US-9963444-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NORTHEASTERN UNIVERSITY (US) 2018-05-08 US disclosed
US-20170114050-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2017-04-27 US disclosed
EP-3145505-A1 N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND THEIR USE THEREOF Northeastern University (US) 2017-03-29 EP disclosed
WO-2015179190-A1 N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND THEIR USE THEREOF NORTHEASTERN UNIVERSITY (US) 2015-11-26 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 (3 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-20180222894-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NAAA, NAT1, NAALAD2 TSHR 2680/4885KMT2A 938/4885MEN1 357/4885
US-10640494-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NAAA, NAT1, NAALAD2 TSHR 2680/4885KMT2A 938/4885MEN1 357/4885
US-20170114050-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NAAA, NAT1, NIT2 TSHR 2507/4885KMT2A 880/4885MEN1 398/4885

“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.