Sugi Predict

Sugi Predict / Compounds / SCHEMBL4017991

SCHEMBL4017991

SCHEMBL4017991

CON=C1CCc2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 6/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ ADRA1A P35348 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ PTAFR P25105 10/20 0.35
▸ FNTA P49354 2/20 0.35
▸ FNTB P49356 2/20 0.35
▸ SLC6A15 Q9H2J7 3/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ ABCB1 P08183 1/20 0.33

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
SCHEMBL13647908 1.00 HRH1 (0.40) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL31041390 0.77 LMNA (0.44) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL13652785 0.76 HRH1 (0.40) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL4095527 0.74 HRH1 (0.49) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL13647921 0.72 CYP19A1 (0.32) KDM4E
SCHEMBL4015481 0.72 CYP19A1 (0.32) KDM4E
SCHEMBL19224618 0.71 ALDH1A1 (0.42) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL788630 0.71 SMN1; SMN2 (0.46) MEN1LMNAKMT2AALDH1A1HPGD
SCHEMBL10192543 0.71 SMN1; SMN2 (0.46) MEN1LMNAKMT2AALDH1A1HPGD
SCHEMBL11886413 0.71 SMN1; SMN2 (0.46) MEN1LMNAKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 — — EP disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 — — US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 — — US disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 — — US disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 — — US disclosed
WO-2014084223-A1 TETRAZOLINONE COMPOUND AND USE THEREOF 住友化学株式会社 (JP) 2014-06-05 — — WO disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 — — US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 — — 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 (2 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C HRH1 428/4885CHRM2 125/4885HTR1A 508/4885
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF RTN3, CYCS, ATL3 HRH1 231/4885CHRM2 526/4885HTR1A 2979/4885

“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.