SCHEMBL19625532

SCHEMBL19625532

O=C(N[C@H](C(=O)O)[C@H](O)c1ccc2c(c1)OCO2)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
TSHR P16473 1/20 0.58
RAB9A P51151 1/20 0.58
ATM Q13315 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
EDNRA P25101 5/20 0.53
MAOB P27338 3/20 0.48
MAOA P21397 1/20 0.48
ACE P12821 1/20 0.45
CYP3A4 P08684 3/20 0.43
CAPN1 P07384 2/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL10940868 1.00 NPC1 (0.58) NPC1ALDH1A1TP53MAPTTSHR
SCHEMBL7439246 1.00 NPC1 (0.58) NPC1ALDH1A1TP53MAPTTSHR
SCHEMBL7429787 1.00 NPC1 (0.58) NPC1ALDH1A1TP53MAPTTSHR
SCHEMBL9501146 0.92 NPC1 (0.56) NPC1ALDH1A1TP53MAPTTSHR
SCHEMBL11047694 0.86 CTSL (0.43) NPC1ALDH1A1TP53MAPTTSHR
SCHEMBL19614362 0.83 RAB9A (0.55) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL19614361 0.83 RAB9A (0.55) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL10941996 0.82 CTSL (0.41) ALDH1A1TSHRATMSMN1; SMN2CYP3A4
SCHEMBL10938858 0.82 CTSL (0.41) ALDH1A1TSHRATMSMN1; SMN2CYP3A4
SCHEMBL10941915 0.82 CTSL (0.41) ALDH1A1TSHRATMSMN1; SMN2CYP3A4

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
US-9920342-B2 Process for the preparation of Droxidopa DIVI'S LABORATORIES LIMITED 2018-03-20 US disclosed
US-9920342-B2 Process for the preparation of Droxidopa DIVI'S LABORATORIES LIMITED 2018-03-20 US disclosed
US-20170335357-A1 PROCESS FOR THE PREPARATION OF DROXIDOPA DIVI'S LABORATORIES LIMITED (IN) 2017-11-23 US disclosed
US-20170335357-A1 PROCESS FOR THE PREPARATION OF DROXIDOPA DIVI'S LABORATORIES LIMITED (IN) 2017-11-23 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-20170335357-A1 PROCESS FOR THE PREPARATION OF DROXIDOPA DAO, DDO, DNPEP NPC1 3148/4885ALDH1A1 1112/4885TP53 4005/4885

“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.