SCHEMBL10326686

SCHEMBL10326686

c1ccc2cc(C(c3ccc4ccccc4c3)C3CCCN3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43
UGT2B7 P16662 1/20 0.43
SLC6A2 P23975 3/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL10326897 1.00 SLC6A4 (0.43) SLC6A4SLC6A3UGT2B7SLC6A2ADRA2A
SCHEMBL10326262 1.00 SLC6A4 (0.43) SLC6A4SLC6A3UGT2B7SLC6A2ADRA2A
SCHEMBL12295130 0.88 NR1H4 (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL25974591 0.86 HIF1A (0.57) UGT2B7MAPTHIF1AHSD17B10
Hydrochloric Acid SCHEMBL20482086 0.84 HIF1A (0.56) UGT2B7MAPTHIF1AHSD17B10
Hydrochloric Acid SCHEMBL20482083 0.84 HIF1A (0.56) UGT2B7MAPTHIF1AHSD17B10
SCHEMBL3173810 0.81 HIF1A (0.64) SLC6A4SLC6A3SLC6A2MAPTHIF1A
SCHEMBL2844473 0.79 SLC6A3 (0.53) SLC6A4SLC6A3SLC6A2
SCHEMBL2842321 0.79 SLC6A3 (0.53) SLC6A4SLC6A3SLC6A2
SCHEMBL670331 0.79 SLC6A3 (0.53) SLC6A4SLC6A3SLC6A2

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
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
WO-2010140636-A1 ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2010-12-09 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 SLC6A4 4697/4885SLC6A3 4843/4885UGT2B7 4382/4885

“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.