SCHEMBL18944448

SCHEMBL18944448

c1cc2c(cc1CN1CCNCC1)OCC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
CXCR4 P61073 10/20 0.46
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ADRA2C P18825 1/20 0.46
CCR2 P41597 1/20 0.46
CXCL12 P48061 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CRBN Q96SW2 1/20 0.44
FAAH O00519 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRM3 P20309 1/20 0.42
CHRNA4 P43681 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
SCHEMBL11518108 0.88 FAAH (0.54) CYP2D6CXCR4CHRM2CHRM1MEN1
SCHEMBL24283140 0.85 TSHR (0.49) CYP2D6CHRM2MEN1KMT2AHRH3
SCHEMBL3143023 0.83 CYP2D6 (0.68) CYP2D6CXCR4CHRM2CHRM1MEN1
SCHEMBL24283104 0.81 SMN1; SMN2 (0.57) MEN1KMT2AFAAH
SCHEMBL11518878 0.81 CXCR4 (0.46) CYP2D6CXCR4CHRM2CHRM1MEN1
SCHEMBL11518881 0.81 CYP2D6 (0.60) CYP2D6CXCR4CHRM2CHRM1MEN1
SCHEMBL23943551 0.80 SMN1; SMN2 (0.41) CYP2D6MEN1KMT2AFAAH
SCHEMBL592970 0.77 KDM4E (0.58) CYP2D6CHRM1MEN1KMT2AADRA2C
SCHEMBL24282068 0.77 CYP2D6 (0.40) CYP2D6CXCR4MEN1KMT2AADRA2C
SCHEMBL11459340 0.77 CXCR4 (0.46) CYP2D6CXCR4CHRM2CHRM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021208963-A1 BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-10-21 WO disclosed
US-10344021-B2 Process for the separation of enantiomers of piperazine derivatives ASCENEURON S A (CH) 2019-07-09 US disclosed
WO-2017144635-A1 PROCESS FOR THE SEPARATION OF ENANTIOMERS OF PIPERAZINE DERIVATIVES ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP 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-10344021-B2 Process for the separation of enantiomers of piperazine derivatives CYP3A5, CYP4Z1, HTR5A CYP2D6 134/4885CXCR4 241/4885CHRM2 996/4885

“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.