SCHEMBL2389158

SCHEMBL2389158

C[C@@H]1CN(c2cccc(O)c2)C[C@H](C)O1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD2 P14416 2/20 0.46
MAPT P10636 1/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CG P48736 1/20 0.46
HSD17B10 Q99714 3/20 0.45
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GRM2 Q14416 1/20 0.42
DRD3 P35462 1/20 0.42
HTR7 P34969 1/20 0.41
KIF11 P52732 1/20 0.40

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
SCHEMBL28436985 0.81 DRD2 (0.46) OPRM1MEN1KMT2ADRD2PIK3CA
SCHEMBL29914669 0.81 DRD2 (0.46) OPRM1MEN1KMT2ADRD2PIK3CA
SCHEMBL27865440 0.81 DRD2 (0.46) OPRM1MEN1KMT2ADRD2PIK3CA
SCHEMBL23731861 0.81 ADRB1 (0.50) MAPTHSD17B10TSHRALDH1A1
SCHEMBL13972914 0.81 ADRA2C (0.51) MEN1KMT2AMAPTPIK3CAHSD17B10
SCHEMBL2722659 0.79 HTR3E (0.50) KMT2AMAPTHSD17B10ALDH1A1HTR7
SCHEMBL2722663 0.79 HTR3E (0.50) KMT2AMAPTHSD17B10ALDH1A1HTR7
SCHEMBL10182584 0.79 HTR3E (0.50) KMT2AMAPTHSD17B10ALDH1A1HTR7
SCHEMBL14321601 0.79 HSD17B10 (0.60) MEN1KMT2AMAPTHSD17B10TSHR
SCHEMBL14321602 0.79 HSD17B10 (0.60) MEN1KMT2AMAPTHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
EP-1988083-A1 TRIAZOLE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2008-11-05 EP disclosed
EP-1988083-A1 TRIAZOLE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2008-11-05 EP 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-20110269960-A1 TRIAZOLE DERIVATIVE S1PR3, S1PR1, S1PR5 OPRM1 1465/4885MEN1 1062/4885KMT2A 1641/4885
US-20100041655-A1 TRIAZOLE DERIVATIVE S1PR3, S1PR1, S1PR5 OPRM1 1412/4885MEN1 1061/4885KMT2A 1630/4885

“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.