SCHEMBL6094312

SCHEMBL6094312

Oc1ccc(N2CCNCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.63
HTR3E A5X5Y0 3/20 0.63
HTR3B O95264 3/20 0.63
HTR3A P46098 3/20 0.63
HTR3D Q70Z44 3/20 0.63
HTR3C Q8WXA8 3/20 0.63
SIGMAR1 Q99720 3/20 0.63
ADRB2 P07550 1/20 0.57
NCF1 P14598 1/20 0.57
PLD1 Q13393 1/20 0.57
FGFR1 P11362 1/20 0.55
FGFR2 P21802 1/20 0.55
PIM1 P11309 1/20 0.55
PIM3 Q86V86 1/20 0.55
PIM2 Q9P1W9 1/20 0.55
ALDH1A1 P00352 3/20 0.55
USP2 O75604 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ESR1 P03372 2/20 0.54

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
SCHEMBL40343 1.00 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
Bromide SCHEMBL8976702 0.98 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL3142642 0.98 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
Bromide SCHEMBL6774826 0.98 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL24028031 0.92 CHRNB2 (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL30307833 0.90 CHRNB2 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14465246 0.89 LTA4H (0.72) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5570604 0.88 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL18553773 0.86 HTR6 (0.73) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7991421 0.84 PIM1 (0.48) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US claimed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US claimed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 WO claimed
US-20060142365-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-06-29 US disclosed
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US disclosed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US disclosed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 WO 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-20060142365-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 ADRB1 3415/4885HTR3E 1875/4885HTR3B 3144/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 ADRB1 3415/4885HTR3E 1875/4885HTR3B 3144/4885

“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.