SCHEMBL15966296

SCHEMBL15966296

O=C(CCC1CCN(C(=O)OCc2ccccc2)CC1)OCl

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
CYP2C19 P33261 1/20 0.58
FAAH O00519 1/20 0.56
GRIN2B Q13224 10/20 0.56
HTT P42858 1/20 0.56
CYP2D6 P10635 4/20 0.55
CYP2C9 P11712 4/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CHRM4 P08173 2/20 0.52
CYP3A4 P08684 3/20 0.52
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL28978045 0.88 HTT (0.68) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL9216971 0.88 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL6823133 0.87 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL7282881 0.87 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL6825290 0.86 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL6948530 0.86 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL15140566 0.86 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL8553423 0.85 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL6948532 0.84 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL5763722 0.84 BCHE (0.63) SMN1; SMN2NPC1RAB9ACYP2C19FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2956450-B1 HYDROXYINDALPINE DERIVATIVES AND THEIR MEDICAL USE UNIV MUENCHEN TECH (DE) 2018-07-25 EP disclosed
US-9637471-B2 Hydroxyindalpine derivatives and their medical use TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2017-05-02 US disclosed
US-9637471-B2 Hydroxyindalpine derivatives and their medical use TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2017-05-02 US disclosed
US-20150376164-A1 HYDROXYINDALPINE DERIVATIVES AND THEIR MEDICAL USE TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2015-12-31 US disclosed
US-20150376164-A1 HYDROXYINDALPINE DERIVATIVES AND THEIR MEDICAL USE TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2015-12-31 US disclosed
WO-2014125084-A1 HYDROXYINDALPINE DERIVATIVES AND THEIR MEDICAL USE Technische Universität München (DE) 2014-08-21 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-20150376164-A1 HYDROXYINDALPINE DERIVATIVES AND THEIR MEDICAL USE HTR5A, HTR4, HTR6 SMN1; SMN2 3273/4885NPC1 772/4885RAB9A 3039/4885

“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.