SCHEMBL19780083

SCHEMBL19780083

COc1cc2c(C)c[nH]c2cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
MTNR1B P49286 1/20 0.50
GABRP O00591 3/20 0.49
GABRD O14764 3/20 0.49
GABRA1 P14867 3/20 0.49
GABRB1 P18505 3/20 0.49
GABRG2 P18507 3/20 0.49
GABRB3 P28472 3/20 0.49
GABRA5 P31644 3/20 0.49
GABRA3 P34903 3/20 0.49
GABRA2 P47869 3/20 0.49
GABRB2 P47870 3/20 0.49
GABRA4 P48169 3/20 0.49
GABRE P78334 3/20 0.49
GABRA6 Q16445 3/20 0.49
GABRG1 Q8N1C3 3/20 0.49
GABRG3 Q99928 3/20 0.49
GABRQ Q9UN88 3/20 0.49
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47

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
SCHEMBL19779949 0.81 MTNR1A (0.49) MTNR1AMTNR1BGABRPGABRDGABRA1
SCHEMBL19114399 0.78 PIM1 (0.49) MTNR1AMTNR1BPIM1PIM3PIM2
SCHEMBL7922832 0.77 PIM1 (0.51) PIM1PIM3PIM2DYRK1ATDO2
SCHEMBL30267619 0.77 PRKAG1 (0.60) MTNR1AMTNR1BGABRPGABRDGABRA1
SCHEMBL3033381 0.77 ALDH1A1 (0.55) MTNR1AMTNR1BGABRPGABRDGABRA1
SCHEMBL14041217 0.74 PIM1 (0.49) PIM1PIM3PIM2DYRK1ATDO2
SCHEMBL14041130 0.74 PIM1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25030233 0.72 MTNR1A (0.71) MTNR1AMTNR1BCHRNB2CHRNA4
SCHEMBL29612001 0.72 HTR2A (0.59) MTNR1AMTNR1BCYP2C9CYP2C19MAPT
SCHEMBL25030236 0.72 MTNR1A (0.60) MTNR1AMTNR1BCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654867-B2 Heteroaryl estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2020-05-19 US disclosed
WO-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 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-10654867-B2 Heteroaryl estrogen receptor modulators and uses thereof ESR2, GPER1, ESRRA MTNR1A 53/4885MTNR1B 70/4885GABRP 214/4885

“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.