SCHEMBL6094701

SCHEMBL6094701

COC(=O)[C@@H]1CCCN1Cc1nc2ccccc2n1Cc1nc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.43
HCRTR1 O43613 4/20 0.43
HCRTR2 O43614 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CACNA1G O43497 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.41
CXCR6 O00574 1/20 0.41
MLLT1 Q03111 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40

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
SCHEMBL7700917 1.00 DRD4 (0.43) DRD4HCRTR1HCRTR2SMN1; SMN2HSD17B10
SCHEMBL6095418 0.90 GRIN2B (0.42) DRD4HCRTR1HCRTR2SMN1; SMN2HSD17B10
SCHEMBL6094056 0.88 POLB (0.43) DRD4HCRTR1HCRTR2SMN1; SMN2HSD17B10
SCHEMBL13508634 0.82 TBXA2R (0.56) LMNAALDH1A1KDM4EMAPTADRA1A
SCHEMBL6095517 0.81 KCNH2 (0.48) DRD4LMNAALDH1A1KDM4EHTT
SCHEMBL6093816 0.81 KCNH2 (0.48) DRD4LMNAALDH1A1KDM4EHTT
SCHEMBL6097411 0.77 HTT (0.46) DRD4LMNAALDH1A1KDM4EMAPT
SCHEMBL6094476 0.76 HTT (0.43) DRD4SMN1; SMN2LMNAALDH1A1CACNA1G
SCHEMBL7238628 0.76 ALDH1A1 (0.47) DRD4LMNAALDH1A1CACNA1GKDM4E
SCHEMBL6092572 0.74 HTT (0.49) DRD4LMNAALDH1A1KDM4EMAPT

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 5 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
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

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 DRD4 1827/4885HCRTR1 3510/4885HCRTR2 3961/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 DRD4 1827/4885HCRTR1 3510/4885HCRTR2 3961/4885

“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.