SCHEMBL1077319

SCHEMBL1077319

C=CCc1c(N)[nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 2/20 0.40
GPR3 P46089 1/20 0.40
MAPT P10636 3/20 0.39
CYP3A4 P08684 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTT P42858 4/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 4/20 0.37
POLB P06746 2/20 0.37
EGFR P00533 3/20 0.36
SRC P12931 2/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL11005681 0.81 ALDH1A1 (0.40) ALDH1A1HSD17B10GPR3MAPTCYP3A4
SCHEMBL1772282 0.80 KDM4E (0.45) ALDH1A1HSD17B10GPR3MAPTHTT
SCHEMBL28181864 0.80 CHRNB2 (0.43) ALDH1A1HSD17B10GPR3MAPTCYP3A4
SCHEMBL6402986 0.79 MAPT (0.59) ALDH1A1MAPTCYP3A4HTTTSHR
SCHEMBL14246882 0.77 HTR2A (0.54)
SCHEMBL7380854 0.76 MAPT (0.41) ALDH1A1HSD17B10GPR3MAPTCYP3A4
SCHEMBL7379257 0.76 DRD2 (0.48) ALDH1A1HSD17B10GPR3MAPTCYP3A4
SCHEMBL29836505 0.76 MAPT (0.41) ALDH1A1HSD17B10GPR3MAPTCYP3A4
SCHEMBL1260958 0.76 HTT (0.51) ALDH1A1HSD17B10GPR3MAPTCYP3A4
SCHEMBL5808418 0.75 MEN1 (0.42) ALDH1A1HSD17B10GPR3MAPTCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO disclosed
EP-1633733-B1 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF UNIV TENNESSEE RES FOUNDATION (US) 2011-01-26 EP disclosed
US-20070167514-A1 Cannabinoid derivatives, methods of making, and use thereof UNIVERSTIY OF TENNESSEE RESEARCH FOUNDATION 2007-07-19 US disclosed
EP-1633733-A4 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF UNIV TENNESSEE RES CORP (US) 2007-02-28 EP disclosed
US-7169942-B2 agonists or antagonists; treatment for neuroinflammatory pathologies involving demyelinization, viral encephalitis, cerebrovascular accidents, cranial trauma, ocular disorders, pulmonary disorders, allergic diseases, inflammatory conditions, immune system disorders, central nervous system diseases, etc. UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-01-30 US disclosed
EP-1633733-A1 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2006-03-15 EP disclosed
WO-2004113320-A1 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2004-12-29 WO disclosed
US-20040242593-A1 Cannabinoid derivatives, methods of making, and use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2004-12-02 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 (4 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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 ALDH1A1 1952/4885HSD17B10 2511/4885GPR3 183/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 ALDH1A1 1952/4885HSD17B10 2511/4885GPR3 183/4885
US-20040242593-A1 Cannabinoid derivatives, methods of making, and use thereof CNR2, CNR1, GPR18 ALDH1A1 1919/4885HSD17B10 1885/4885GPR3 51/4885
US-20070167514-A1 Cannabinoid derivatives, methods of making, and use thereof CNR2, CNR1, GPR18 ALDH1A1 1939/4885HSD17B10 1911/4885GPR3 50/4885

“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.