SCHEMBL3602197

SCHEMBL3602197

CN(Cc1nc(Cl)cc(N2CCOCC2)n1)Cc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
NAPEPLD Q6IQ20 1/20 0.43
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HTT P42858 1/20 0.39
ADCY10 Q96PN6 1/20 0.38
MEN1 O00255 1/20 0.38
PIK3CB P42338 2/20 0.38
SHMT2 P34897 1/20 0.38

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
SCHEMBL3595795 0.80 CHRNB2 (0.44) KMT2AMAPTCYP1A2CYP2D6NAPEPLD
SCHEMBL3606729 0.78 KMT2A (0.42) KMT2AMAPTCYP1A2CYP2D6NAPEPLD
SCHEMBL3604026 0.77 PIK3CD (0.50) PIK3CB
SCHEMBL3602194 0.75 MAPT (0.46) KMT2AMAPTCYP1A2CYP2D6ALDH1A1
SCHEMBL18398994 0.73 CYP1A2 (0.60) KMT2AMAPTCYP1A2CYP2D6ALDH1A1
SCHEMBL3599828 0.70 CYP1A2 (0.60) KMT2AMAPTCYP1A2CYP2D6ALDH1A1
SCHEMBL3601715 0.70 MAPT (0.65) KMT2AMAPTCYP1A2CYP2D6ALDH1A1
SCHEMBL3598467 0.70 MAPT (0.60) KMT2AMAPTCYP1A2CYP2D6ALDH1A1
SCHEMBL13141217 0.70 MAPT (0.60) KMT2AMAPTCYP1A2CYP2D6NPC1
SCHEMBL3610061 0.70 CYP1A2 (0.56) KMT2AMAPTCYP1A2CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP 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 (5 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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 KMT2A 1061/4885MAPT 4392/4885CYP1A2 227/4885
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 KMT2A 3423/4885MAPT 2195/4885CYP1A2 1185/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885MAPT 4392/4885CYP1A2 227/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885MAPT 4392/4885CYP1A2 227/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885MAPT 4392/4885CYP1A2 227/4885

“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.