SCHEMBL2114371

SCHEMBL2114371

[CH](CCN1CCN(c2ccc3c(c2)OCCO3)CC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.55
DRD3 P35462 5/20 0.55
HTR1A P08908 4/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2C P18825 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
DRD4 P21917 4/20 0.51
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL15961293 0.79 KCNH2 (0.61) DRD2DRD3HTR1ASIGMAR1DRD4
Hydrochloric Acid SCHEMBL7525468 0.76 DRD4 (0.74) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL15961330 0.76 MAPT (0.62) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL15961300 0.75 KCNH2 (0.67) DRD2DRD3SIGMAR1DRD4SMN1; SMN2
SCHEMBL15961229 0.75 LMNA (0.60) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL3187564 0.74 HTR1A (0.57) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL7817070 0.72 HTR1A (0.59) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL27777700 0.72 HTR1A (0.44) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL2116678 0.72 ADRB1 (0.65) SIGMAR1
SCHEMBL7812155 0.72 DRD2 (0.49) DRD2DRD3HTR1AADRA2AADRA2C

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-20120095007-A2 CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE ANALGESICS SK HOLDINGS CO. LTD. (KR) 2012-04-19 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-20120095007-A2 CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE ANALGESICS OPRL1, OPRD1, TRPV1 DRD2 1187/4885DRD3 1515/4885HTR1A 17/4885

“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.