SCHEMBL3763705

SCHEMBL3763705

OCc1cccc(Oc2cccc(CN3CCCCC3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
GAA P10253 2/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HIF1A Q16665 1/20 0.52
TRPV6 Q9H1D0 1/20 0.52
PRMT6 Q96LA8 1/20 0.51
FAAH O00519 1/20 0.50

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
SCHEMBL6496864 0.88 ALDH1A1 (0.73) ALDH1A1KDM4ETDP1HPGDHTT
SCHEMBL3742515 0.87 PRMT6 (0.66) ALDH1A1KDM4ETDP1HTTSMN1; SMN2
SCHEMBL6499571 0.86 ALDH1A1 (0.75) ALDH1A1KDM4ETDP1HPGDHTT
SCHEMBL17594984 0.85 PRMT6 (0.68) ALDH1A1KDM4ETDP1SMN1; SMN2GAA
SCHEMBL20209840 0.82 PRMT6 (0.62) ALDH1A1KDM4ETDP1SMN1; SMN2GAA
SCHEMBL19206094 0.82 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1HPGDHTT
SCHEMBL19206096 0.82 ALDH1A1 (0.71) ALDH1A1KDM4ETDP1HPGDHTT
SCHEMBL19206069 0.82 SIGMAR1 (0.70) ALDH1A1KDM4ETDP1HPGDHTT
SCHEMBL3763709 0.81 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1HPGDHTT
SCHEMBL19206085 0.81 SIGMAR1 (0.64) ALDH1A1KDM4ETDP1HPGDHTT

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-7846930-B2 Diaryl-substituted tetrahydroisoquinolines as histamine H3 receptor and serotonin transporter modulators JANSSEN PHARMACEUTICA NV (BE) 2010-12-07 US disclosed
US-20080318952-A1 DIARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-25 US disclosed
WO-2008144305-A1 DIARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-27 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 (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-20080318952-A1 DIARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS HRH3, HRH4, HRH1 ALDH1A1 2614/4885KDM4E 2382/4885TDP1 2904/4885

“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.