SCHEMBL5645208

SCHEMBL5645208

[CH2]CCCCCNC(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ADRB2 P07550 1/20 0.32
GRIA1 P42261 3/20 0.31
HTR1B P28222 1/20 0.31
NR2E1 Q9Y466 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL16892574 1.00 HRH4 (0.39) HRH4HRH3ADRB2GRIA1HTR1B
SCHEMBL16892579 1.00 HRH4 (0.39) HRH4HRH3ADRB2GRIA1HTR1B
SCHEMBL5648119 0.97
SCHEMBL10365273 0.93 HRH4 (0.36) HRH4HRH3
SCHEMBL10363429 0.93 HRH4 (0.36) HRH4HRH3
SCHEMBL10365429 0.93 HRH4 (0.36) HRH4HRH3
SCHEMBL10363847 0.93 HRH4 (0.36) HRH4HRH3
SCHEMBL10365428 0.93 HRH4 (0.36) HRH4HRH3
SCHEMBL10365432 0.91 CYP2C19 (0.37) HRH4HRH3
SCHEMBL10365223 0.90 ALDH1A1 (0.36) HRH4HRH3ADRB2

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
EP-2894685-B1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DAINIPPON INK & CHEMICALS (JP) 2018-10-31 EP disclosed
US-9490433-B2 Benzothienobenzothiophene derivative, organic semiconductor material, and organic transistor DIC CORPORATION (JP) 2016-11-08 US disclosed
US-20150228913-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DIC CORPORATION (JP) 2015-08-13 US disclosed
EP-2894685-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DIC Corporation (JP) 2015-07-15 EP disclosed
US-7276600-B2 Phthalocyanine derivatives and their applications in optical recording media TSAI YEN CHENG 2007-10-02 US disclosed
US-20060292494-A1 Novel phthalocyanine derivatives, synthetic process thereof and their applications in optical recording media TSAI YEN C 2006-12-28 US disclosed
US-20060281026-A1 Phthalocyanine derivatives and their applications in optical recording media TSAI YEN C 2006-12-14 US disclosed
CN-1081676-A The indoles and the indazole derivatives that are used for the treatment and the prevention of cerebral disorders, their preparation and application SANKYO CO (JP) 1994-02-09 CN disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
US-4918107-A HYDROXYPHENYLACETYL-L-ASPARAGINYL COMPOUNDS TSUMURA & CO. (JP) 1990-04-17 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 (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-20060292494-A1 Novel phthalocyanine derivatives, synthetic process thereof and their applications in optical recording media TRPC3, TRPA1, TRPC6 HRH4 1214/4885HRH3 392/4885ADRB2 2859/4885
US-20060281026-A1 Phthalocyanine derivatives and their applications in optical recording media CRY2, CACNA1C, CRY1 HRH4 3332/4885HRH3 2546/4885ADRB2 2141/4885
US-20150228913-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR TST, TPST2, TPR HRH4 3212/4885HRH3 3663/4885ADRB2 3742/4885

“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.