SCHEMBL3398090

SCHEMBL3398090

NC1CCC(CNC(c2ccccc2)c2ccccc2)OC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
GRM7 Q14831 1/20 0.41
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BTK Q06187 1/20 0.37
HPGD P15428 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PLK1 P53350 1/20 0.32

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
SCHEMBL3397976 0.84 HPGD (0.43) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL9185050 0.81 MTOR (0.52) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL20925432 0.71 TDP1 (0.34) CYP3A4BTKHPGDCYP2D6CYP2C9
Hydrochloric Acid SCHEMBL29678665 0.70 GBA1 (0.54) RAB9ATSHRHPGDPKMALDH1A1
SCHEMBL28260287 0.70 MTOR (0.56) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL3393098 0.69 MTOR (0.42) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL9147358 0.68 CHRM2 (0.38) MTORRAB9AGRM7CYP3A4HPGD
SCHEMBL243487 0.68
SCHEMBL244796 0.68
SCHEMBL244750 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841464-B2 Tri-substituted 2-benzhydryl-5-benzylamino-tetrahydro-pyran-4-ol and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-ol analogues, and novel 3,6-disubstituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2014-09-23 US disclosed
US-20120004428-A1 Tri-Substituted 2-Benzhydryl-5-Benzylamino-Tetrahydro-Pyran-4-OL and 6-Benzhydryl-4-Benzylamino-Tetrahydro-Pyran-3-OL Analogues, and Novel 3,6-Disubstituted Pyran Derivatives WAYNE STATE UNIVERSITY (US) 2012-01-05 US disclosed
US-8017791-B2 Tri-substituted 2-benzhydryl-5-benzylamino-tetrahydro-pyran-4-ol and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-ol analogues, and novel, 3,6-disubstituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2011-09-13 US disclosed
US-20080167478-A1 Tri-Substituted 2-Benzhydryl-5-Benzlamino-Tetrahydro-Pyran-4-OL and 6-Benzhydryl-4-Benzylamino-Tetrahydro-Pyran-3-OL Analogues, and Novel 3,6-Disubstituted Pyran Derivatives WAYNE STATE UNIVERSITY (US) 2008-07-10 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-20120004428-A1 Tri-Substituted 2-Benzhydryl-5-Benzylamino-Tetrahydro-Pyran-4-OL and 6-Benzhydryl-4-Benzylamino-Tetrahydro-Pyran-3-OL Analogues, and Novel 3,6-Disubstituted Pyran Derivatives TPH1, HTR4, TPH2 MTOR 785/4885RAB9A 2142/4885GRM7 282/4885
US-20080167478-A1 Tri-Substituted 2-Benzhydryl-5-Benzlamino-Tetrahydro-Pyran-4-OL and 6-Benzhydryl-4-Benzylamino-Tetrahydro-Pyran-3-OL Analogues, and Novel 3,6-Disubstituted Pyran Derivatives TPH1, TPH2, HTR4 MTOR 853/4885RAB9A 1740/4885GRM7 314/4885

“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.