SCHEMBL4787100

SCHEMBL4787100

O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 1.00
TSHR P16473 1/20 1.00
MAPK1 P28482 1/20 1.00
KDM4E B2RXH2 4/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
ALDH1A1 P00352 3/20 0.71
CYP2C19 P33261 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
ALOX15 P16050 1/20 0.69
HSD17B10 Q99714 1/20 0.69
ALOX12 P18054 1/20 0.69
MAPT P10636 1/20 0.67
HPGD P15428 1/20 0.67
CCKBR P32239 2/20 0.63
HDAC1 Q13547 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
PDE5A O76074 1/20 0.56
KIF11 P52732 2/20 0.55

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
SCHEMBL28478851 1.00 CYP2D6 (1.00) CYP2D6TSHRMAPK1KDM4EMEN1
SCHEMBL29630317 1.00 CYP2D6 (1.00) CYP2D6TSHRMAPK1KDM4EMEN1
SCHEMBL3481444 1.00 CYP2D6 (1.00) CYP2D6TSHRMAPK1KDM4EMEN1
SCHEMBL764194 1.00 CYP2D6 (1.00) CYP2D6TSHRMAPK1KDM4EMEN1
SCHEMBL17760630 1.00 CYP2D6 (1.00) CYP2D6TSHRMAPK1KDM4EMEN1
SCHEMBL2215687 0.92 CYP2D6 (0.85) CYP2D6TSHRMAPK1KDM4EMEN1
SCHEMBL17760541 0.91 CYP2D6 (0.83) CYP2D6TSHRMAPK1KDM4EMEN1
SCHEMBL32689432 0.91 CYP2D6 (0.83) CYP2D6TSHRMAPK1KDM4EMEN1
SCHEMBL32689431 0.91 CYP2D6 (0.83) CYP2D6TSHRMAPK1KDM4EMEN1
SCHEMBL17760584 0.91 CYP2D6 (0.83) CYP2D6TSHRMAPK1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208033-B2 β-carboline, dihydro-β-carboline and tetrahydro-β-carboline alkaloid derivatives and preparation methods same and use in aspects of preventing and treating plant viruses, fungicides and insecticides NANKAI UNIVERSITY (CN) 2019-02-19 US disclosed
EP-3091015-B1 BETA-CARBOLINE, DIHYDRO-BETA-CARBOLINE AND TETRAHYDRO-BETA-CARBOLINE ALKALOID DERIVATIVES AND METHOD FOR PREPARING SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES UNIV NANKAI (CN) 2019-02-13 EP disclosed
US-20160326166-A1 ß-CARBOLINE, DIHYDRO-ß-CARBOLINE AND TETRAHYDRO-ß-CARBOLINE ALKALOID DERIVATIVES AND PREPARATION METHODS SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES NANKAI UNIVERSITY (CN) 2016-11-10 US disclosed
US-20160326166-A1 ß-CARBOLINE, DIHYDRO-ß-CARBOLINE AND TETRAHYDRO-ß-CARBOLINE ALKALOID DERIVATIVES AND PREPARATION METHODS SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES NANKAI UNIVERSITY (CN) 2016-11-10 US disclosed
US-20160326166-A1 ß-CARBOLINE, DIHYDRO-ß-CARBOLINE AND TETRAHYDRO-ß-CARBOLINE ALKALOID DERIVATIVES AND PREPARATION METHODS SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES NANKAI UNIVERSITY (CN) 2016-11-10 US disclosed
WO-2016069949-A1 COMPOSITIONS AND FORMULATIONS OF METHYLERTHRITOL PHOSPHATE PATHWAY INHIBITORS AND USES THEREOF VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2016-05-06 WO disclosed
WO-2015101206-A1 Β-CARBOLINE, DIHYDRO-Β-CARBOLINE AND TETRAHYDRO-Β-CARBOLINE ALKALOID DERIVATIVES AND METHOD FOR PREPARING SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES 南开大学 2015-07-09 WO disclosed
WO-2008101824-A1 IMIDAZO[1',5':1,6] PYRIDO[3,4-B]INDOLES DERIVATIVES AND THERAPEUTICAL USE THEREOF FOURTILLAN (FR) 2008-08-28 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 (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-20160326166-A1 ß-CARBOLINE, DIHYDRO-ß-CARBOLINE AND TETRAHYDRO-ß-CARBOLINE ALKALOID DERIVATIVES AND PREPARATION METHODS SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES DDT, NOTUM, DDAH1 CYP2D6 581/4885TSHR 3772/4885MAPK1 3086/4885
US-10208033-B2 β-carboline, dihydro-β-carboline and tetrahydro-β-carboline alkaloid derivatives and preparation methods same and use in aspects of preventing and treating plant viruses, fungicides and insecticides DDT, ZC3HAV1, NOTUM CYP2D6 681/4885TSHR 3653/4885MAPK1 3051/4885

“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.