SCHEMBL9539897

SCHEMBL9539897

S=C=NCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.58
MC4R P32245 1/20 0.54
CCR3 P51677 1/20 0.53
NAAA Q02083 3/20 0.52
MIF P14174 3/20 0.51
TRPA1 O75762 1/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2A6 P11509 1/20 0.51
HIF1A Q16665 1/20 0.51
CYP2A13 Q16696 1/20 0.51
EPAS1 Q99814 1/20 0.51
DRD4 P21917 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
KCNA3 P22001 1/20 0.48
PHGDH O43175 1/20 0.47
MGLL Q99685 1/20 0.47

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
SCHEMBL17274384 0.79 NAAA (0.81) SIGMAR1CCR3NAAA
SCHEMBL6659339 0.78 SIGMAR1 (0.86) SIGMAR1MC4RCCR3DRD4LMNA
SCHEMBL1041303 0.76 SIGMAR1 (1.00) SIGMAR1MC4RCCR3DRD4LMNA
SCHEMBL576868 0.76 SIGMAR1 (1.00) SIGMAR1MC4RCCR3DRD4LMNA
SCHEMBL2489199 0.76 SIGMAR1 (1.00) SIGMAR1MC4RCCR3DRD4LMNA
SCHEMBL242970 0.76 SIGMAR1 (1.00) SIGMAR1MC4RCCR3DRD4LMNA
SCHEMBL8188324 0.76 SIGMAR1 (1.00) SIGMAR1MC4RCCR3DRD4LMNA
SCHEMBL1415730 0.76 SIGMAR1 (1.00) SIGMAR1MC4RCCR3DRD4LMNA
SCHEMBL6659913 0.75 CCR3 (0.79) SIGMAR1MC4RCCR3DRD4LMNA
SCHEMBL6657455 0.75 CCR3 (0.85) SIGMAR1MC4RCCR3DRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222894-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2018-08-09 US claimed
US-20170114050-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2017-04-27 US claimed
EP-3145505-A1 N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND THEIR USE THEREOF Northeastern University (US) 2017-03-29 EP claimed
WO-2015179190-A1 N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND THEIR USE THEREOF NORTHEASTERN UNIVERSITY (US) 2015-11-26 WO claimed
US-10640494-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NORTHEASTERN UNIVERSITY (US) 2020-05-05 US disclosed
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-20180222894-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2018-08-09 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-9963444-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NORTHEASTERN UNIVERSITY (US) 2018-05-08 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
US-20170114050-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2017-04-27 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
WO-2015179190-A1 N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND THEIR USE THEREOF NORTHEASTERN UNIVERSITY (US) 2015-11-26 WO disclosed
WO-1993014088-A1 ANTIHISTAMINIC PIPERAZINYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-22 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 SIGMAR1 3875/4885MC4R 3426/4885CCR3 4838/4885
US-10640494-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NAAA, NAT1, NAALAD2 SIGMAR1 3875/4885MC4R 3426/4885CCR3 4838/4885
US-20170114050-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NAAA, NAT1, NIT2 SIGMAR1 4422/4885MC4R 3656/4885CCR3 4832/4885

“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.