SCHEMBL3775159

SCHEMBL3775159

O=C(OCc1ccccc1)N1CCN(CCc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP2D6 P10635 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 2/20 0.50
PKM P14618 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ENPP2 Q13822 1/20 0.47
OPRM1 P35372 1/20 0.46
AVPR1A P37288 1/20 0.46
OPRK1 P41145 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 2/20 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
SCHEMBL4759021 0.85 CYP2D6 (0.49) FAAHCYP2D6NPC1RAB9AALDH1A1
SCHEMBL5774801 0.82 FAAH (0.57) FAAHMEN1KMT2ACYP2D6NPC1
SCHEMBL31708753 0.77 FAAH (0.64) FAAHMEN1KMT2ACYP2D6NPC1
SCHEMBL3776386 0.76 OPRM1 (0.47) FAAHMEN1KMT2ANPSR1CYP2D6
SCHEMBL92564 0.76 MEN1 (0.61) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL4814264 0.75 MEN1 (0.76) MEN1KMT2ANPSR1CYP2D6NPC1
SCHEMBL7393652 0.75 MEN1 (0.76) MEN1KMT2ANPSR1CYP2D6NPC1
SCHEMBL3970912 0.75 MEN1 (0.76) MEN1KMT2ANPSR1CYP2D6NPC1
SCHEMBL379160 0.75 MEN1 (0.76) MEN1KMT2ANPSR1CYP2D6NPC1
SCHEMBL5774489 0.75 TSHR (0.57) FAAHKMT2AALDH1A1POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B FAAH 2709/4885MEN1 4010/4885KMT2A 2291/4885

“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.