SCHEMBL17023938

SCHEMBL17023938

NCC(c1ccccc1)[C@]1(C(=O)O)CC=CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.41
GABBR1 Q9UBS5 2/20 0.41
TAAR1 Q96RJ0 3/20 0.34
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
SLC6A2 P23975 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL515733 0.73 GABBR2 (0.41) GABBR2GABBR1TAAR1HTR2AALDH1A1
SCHEMBL12592071 0.67 CYP2D6 (0.43) ALDH1A1MAPTCYP2D6KDM4EL3MBTL1
SCHEMBL515918 0.67 SLC6A4 (0.44) SLC6A4SLC6A3CYP2D6SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL11524685 0.66
SCHEMBL7197416 0.65 CPA3 (0.44) GABBR2GABBR1ALDH1A1MAPTCYP1A2
SCHEMBL12592077 0.64 AKR1C1 (0.47) CYP2D6NPSR1LMNAMAPK1
SCHEMBL12592073 0.64 AKR1C1 (0.42) CYP2D6NPSR1L3MBTL1LMNAMAPK1
SCHEMBL4560773 0.64 SLC6A2 (0.46) SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL12592080 0.63 AKR1C1 (0.46) MAPTCYP2D6NPSR1KDM4ELMNA
SCHEMBL15106438 0.62 SRC (0.46) ALDH1A1MAPTCYP2D6SMN1; SMN2L3MBTL1

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-20150239909-A1 PROCESS FOR THE PREPARATION OF (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-08-27 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-20150239909-A1 PROCESS FOR THE PREPARATION OF (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE F10, F8, TFPI GABBR2 648/4885GABBR1 507/4885TAAR1 2139/4885

“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.