SCHEMBL6234026

SCHEMBL6234026

CC1NCC(C)(C)c2ccc(OCc3ccccc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.46
CREBBP Q92793 1/20 0.45
KDM1A O60341 2/20 0.44
MAOB P27338 5/20 0.43
MAOA P21397 4/20 0.43
HTR2B P41595 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALOX5 P09917 1/20 0.42
CYP2D6 P10635 3/20 0.41
TP53 P04637 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL30014783 0.77 HRH3 (0.51) HRH3KDM1AMAOBMAOACYP2D6
SCHEMBL23537862 0.77 HRH3 (0.51) HRH3KDM1AMAOBMAOACYP2D6
SCHEMBL6234715 0.74 TP53 (0.43) HRH3CREBBPKDM1AMAOBMAOA
SCHEMBL29850459 0.70 MAOB (0.50) HRH3KDM1AMAOBMAOAALOX5
SCHEMBL17771702 0.70 HRH3 (0.52) HRH3CREBBPKDM1AMAOBMAOA
SCHEMBL23774201 0.69 HTR2A (0.54) HRH3CREBBPKDM1AMAOBMAOA
SCHEMBL281853 0.69 MAOB (0.57) HRH3KDM1AMAOBMAOAHTR2B
SCHEMBL19764435 0.68 KDM1A (0.77) HRH3KDM1AMAOBMAOACYP2D6
SCHEMBL5442260 0.68 HTR2C (0.65) HRH3MAOBMAOAHTR2BHRH1
SCHEMBL5442264 0.68 HTR2C (0.65) HRH3MAOBMAOAHTR2BHRH1

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-20050234096-A1 Tetrahydroisoquinoline derivatives BAYER HEALTHCARE AG (DE) 2005-10-20 US disclosed
EP-1507763-A1 TETRAHYDROISOQUINOLINE DERIVATIVES Bayer HealthCare AG (DE) 2005-02-23 EP disclosed
WO-2003097607-A1 TETRAHYDROISOQUINOLINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-11-27 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-20050234096-A1 Tetrahydroisoquinoline derivatives PPARD, PPARG, PPARA HRH3 800/4885CREBBP 396/4885KDM1A 3758/4885

“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.