SCHEMBL5015901

SCHEMBL5015901

CC1(C)CCC(c2ccccc2N2CCN(CC3CCOCC3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.43
ADRA1B P35368 3/20 0.43
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
OPRL1 P41146 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
HTR2C P28335 1/20 0.37
EBP Q15125 2/20 0.37
KCNH2 Q12809 1/20 0.37

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
Hydrochloric Acid SCHEMBL4858030 0.99 HTR1A (0.42) HTR1AADRA1BADRA1DADRA1ACACNA1G
Hydrochloric Acid SCHEMBL4849947 0.90 HTR1A (0.46) HTR1AADRA1BADRA1DADRA1AOPRL1
SCHEMBL4254249 0.89 HTR1A (0.41) HTR1AADRA1BADRA1DADRA1ACACNA1G
Hydrochloric Acid SCHEMBL4856812 0.88 HTR1A (0.45) HTR1AADRA1BADRA1DADRA1ACACNA1G
Hydrochloric Acid SCHEMBL4857990 0.88 HTR1A (0.41) HTR1AADRA1BADRA1DADRA1ACACNA1G
SCHEMBL18092163 0.87 HTR1A (0.52) HTR1AADRA1BADRA1DADRA1A
Hydrochloric Acid SCHEMBL4860608 0.86 HTR1A (0.51) HTR1AADRA1BADRA1DADRA1A
Hydrochloric Acid SCHEMBL4857040 0.86 HTR1A (0.37) HTR1AADRA1BADRA1DADRA1ACACNA1G
Hydrochloric Acid SCHEMBL4855962 0.85 HTR1A (0.50) HTR1AADRA1BADRA1DADRA1AOPRL1
Hydrochloric Acid SCHEMBL4856020 0.84 HTR1A (0.42) HTR1AADRA1BOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US claimed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 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 (1 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-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 HTR1A 1433/4885ADRA1B 304/4885ADRA1D 181/4885

“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.