SCHEMBL4135883

SCHEMBL4135883

CSc1cccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
GRIN2B Q13224 2/20 0.39
CYP1A2 P05177 4/20 0.36
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
FAAH O00519 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
OPRD1 P41143 1/20 0.36
FFAR1 O14842 1/20 0.36
TSHR P16473 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4131413 0.89 HTR1D (0.40) HTR1DHTR1AHTR7GRIN2BFAAH
SCHEMBL4135535 0.84 ASIC3 (0.35) CYP1A2CYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL4136458 0.84 HRH3 (0.45) HTR1DHTR1AHTR7GRIN2BCYP1A2
SCHEMBL4145248 0.83 GRIN2B (0.51) HTR1DHTR1AHTR7GRIN2BCYP1A2
SCHEMBL4139998 0.81 HRH3 (0.45) HTR1DHTR1AHTR7GRIN2BOPRM1
SCHEMBL4141125 0.81 HTR1A (0.47) HTR1DHTR1AHTR7GRIN2BCYP11B1
SCHEMBL4128005 0.81 CD274 (0.50) HTR1AOPRK1
SCHEMBL20890502 0.80 GRIN2B (0.43) HTR1DHTR1AHTR7GRIN2BCYP1A2
SCHEMBL4129019 0.80 HTR1A (0.44) HTR1DHTR1AHTR7GRIN2BFAAH
SCHEMBL4128788 0.79 HRH3 (0.49) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 HTR1D 25/4885HTR1A 19/4885HTR7 7/4885

“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.