SCHEMBL20061163

SCHEMBL20061163

c1ccc2c(c1)CCCC2N[C@H]1CCCC[C@@H]1NC1CCCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.67
KDM1A O60341 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
EPHX1 P07099 1/20 0.54
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
ADRA1A P35348 2/20 0.49
PDPK1 O15530 1/20 0.49
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
TAS1R2 Q8TE23 2/20 0.48

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
SCHEMBL20061164 1.00 SLC18A3 (0.67) SLC18A3KDM1AMAOAMAOBEPHX1
SCHEMBL20061144 0.91 SLC18A3 (0.79) SLC18A3KDM1AMAOAMAOBEPHX1
SCHEMBL20061132 0.91 SLC18A3 (0.79) SLC18A3KDM1AMAOAMAOBEPHX1
SCHEMBL15131188 0.85 PDPK1 (0.61) SLC18A3KDM1AMAOAMAOBEPHX1
SCHEMBL22139619 0.84 EPHX1 (0.64) SLC18A3EPHX1LMNAHTTALDH1A1
SCHEMBL2115700 0.81 HTT (0.63) EPHX1LMNAHTTALDH1A1KMT2A
SCHEMBL9226618 0.81 EPHX1 (0.60) SLC18A3KDM1AMAOAMAOBEPHX1
SCHEMBL3316700 0.78 EPHX1 (0.50) SLC18A3EPHX1LMNAHTTALDH1A1
SCHEMBL5270795 0.78 LMNA (0.55) EPHX1LMNAHTTALDH1A1KMT2A
SCHEMBL61094 0.78 PDPK1 (0.79) EPHX1LMNAHTTALDH1A1KMT2A

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-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND ZHEJIANG NHU COMPANY LTD. (CN) 2018-04-19 US disclosed
US-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND ZHEJIANG NHU COMPANY LTD. (CN) 2018-04-19 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 (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-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND TPSD1, QDPR, TALDO1 SLC18A3 2196/4885KDM1A 1461/4885MAOA 45/4885

“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.