SCHEMBL5467968

SCHEMBL5467968

CN1CCC(Oc2cccc(Cl)c2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
SCD O00767 3/20 0.45
HRH1 P35367 2/20 0.44
EGFR P00533 3/20 0.44
ERBB2 P04626 1/20 0.44
SRC P12931 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR6 P50406 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
Hydrochloric Acid SCHEMBL5467688 0.98 DRD2 (0.45) DRD2DRD3SMN1; SMN2KDM4ENPY1R
SCHEMBL5467987 0.92 HTR2C (0.50) SMN1; SMN2ALDH1A1HTR2CHTR2BSLC6A4
Hydrochloric Acid SCHEMBL5473725 0.91 HTR2C (0.49) HTR2CHTR2BSLC6A4HTR6
SCHEMBL5685983 0.88 SRC (0.46) SMN1; SMN2HRH1EGFRERBB2SRC
SCHEMBL10274504 0.87 SCD (0.56) SMN1; SMN2KDM4ENPY1RNPY2RSCD
SCHEMBL22278139 0.84 EGFR (0.47) SMN1; SMN2KDM4ENPY1RNPY2RHRH1
SCHEMBL22278146 0.84 EGFR (0.50) DRD2SMN1; SMN2KDM4ENPY1RNPY2R
SCHEMBL1178126 0.79 SLC6A3 (0.55) DRD2DRD3SMN1; SMN2HRH1HTR2C
SCHEMBL1178129 0.79 SLC6A3 (0.55) DRD2DRD3SMN1; SMN2HRH1HTR2C
SCHEMBL12676933 0.79 HRH1 (0.47) SMN1; SMN2KDM4ENPY1RNPY2RHRH1

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
US-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2007-01-25 US claimed
EP-1638939-A2 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-03-29 EP claimed
WO-2004113297-A2 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2004-12-29 WO claimed
WO-2021097240-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
WO-2020154571-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-07-30 WO disclosed
US-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2007-01-25 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-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC6A2, SLC18A3 DRD2 36/4885DRD3 99/4885SMN1; SMN2 2625/4885

“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.