SCHEMBL657213

SCHEMBL657213

OCC1Cc2cc(N3CCNCC3)ccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.49
▸ ADRB1 P08588 6/20 0.45
▸ HTR3E A5X5Y0 3/20 0.41
▸ HTR3B O95264 3/20 0.41
▸ HTR3A P46098 3/20 0.41
▸ HTR3D Q70Z44 3/20 0.41
▸ HTR3C Q8WXA8 3/20 0.41
▸ SIGMAR1 Q99720 3/20 0.41
▸ HTR5A P47898 1/20 0.41
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ HTR1A P08908 2/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ THRB P10828 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
SCHEMBL657467 0.84 HRH3 (0.46) HRH3ADRB1HTR3EHTR3BHTR3A
SCHEMBL8257680 0.80 ADRA1A (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL658998 0.78 HRH3 (0.43) HRH3HTR1AHTR7CYP1A2CYP2C9
SCHEMBL15304718 0.75 ADRB1 (0.40) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5792483 0.71 HRH3 (0.58) HRH3HRH4
SCHEMBL9377623 0.71 HRH3 (0.43) HRH3ADRB1HRH4HTR1AHTR2A
SCHEMBL8256635 0.71 HRH3 (0.41) HRH3HRH4
SCHEMBL10368996 0.71 CYP4F2 (0.44) HRH3HRH4
SCHEMBL13862127 0.71 HRH3 (0.38) HRH3HRH4
SCHEMBL8280054 0.71 HRH3 (0.38) HRH3HRH4

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
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 — — US claimed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 — — US claimed
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 — — US disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 — — US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 — — US disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 — — US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 — — US disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 — — US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 — — US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 — — US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 — — US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 — — US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 — — US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 — — 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 (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-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 HRH3 118/4885ADRB1 294/4885HTR3E 606/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 HRH3 118/4885ADRB1 294/4885HTR3E 606/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 HRH3 118/4885ADRB1 294/4885HTR3E 606/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 HRH3 60/4885ADRB1 34/4885HTR3E 40/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 HRH3 286/4885ADRB1 241/4885HTR3E 2342/4885

“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.

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