SCHEMBL4170855

SCHEMBL4170855

c1cnc2c(c1)CC[C@@H]1CCCN[C@H]21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.44
CYP2D6 P10635 4/20 0.38
CXCR4 P61073 3/20 0.38
CHRNB2 P17787 4/20 0.37
CHRNA4 P43681 4/20 0.37
CHRNA7 P36544 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA2 Q15822 1/20 0.35

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
SCHEMBL4173733 1.00 PRCP (0.44) PRCPCYP2D6CXCR4CHRNB2CHRNA4
SCHEMBL4181457 1.00 PRCP (0.44) PRCPCYP2D6CXCR4CHRNB2CHRNA4
SCHEMBL20482729 1.00 PRCP (0.44) PRCPCYP2D6CXCR4CHRNB2CHRNA4
SCHEMBL4170860 1.00 PRCP (0.44) PRCPCYP2D6CXCR4CHRNB2CHRNA4
SCHEMBL13875186 1.00 PRCP (0.44) PRCPCYP2D6CXCR4CHRNB2CHRNA4
SCHEMBL4173032 0.94 PRCP (0.44) PRCPCYP2D6CXCR4
SCHEMBL4188457 0.94 PRCP (0.44) PRCPCYP2D6CXCR4
SCHEMBL4173013 0.91 CHRNB2 (0.43) PRCPCYP2D6CXCR4CHRNB2CHRNA4
SCHEMBL5547748 0.83 CXCR4 (0.42) CYP2D6CXCR4
SCHEMBL1698200 0.72 KDM4E (0.39) PRCPCYP2D6CXCR4HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368146-A1 Morpholine-Containing & Piperazine-Containing CXCR4 Modulators and Uses Related Thereto UNIV EMORY (US) 2024-11-07 US disclosed
EP-4373485-A1 CXCR4 MODULATORS AND USES RELATED THERETO Emory University (US) 2024-05-29 EP disclosed
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
WO-2023003862-A1 CXCR4 MODULATORS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2023-01-26 WO disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 US disclosed
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 US disclosed
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 US disclosed
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 US disclosed
EP-1853604-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-11-14 EP disclosed
WO-2006096444-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-14 WO 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 (4 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-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 PRCP 2259/4885CYP2D6 4404/4885CXCR4 1/4885
US-20240368146-A1 Morpholine-Containing & Piperazine-Containing CXCR4 Modulators and Uses Related Thereto CXCR4, CXCL12, MYD88 PRCP 4184/4885CYP2D6 4666/4885CXCR4 1/4885
US-20090093454-A1 Chemical Compounds SLC10A1, CYP11B2, CYP4F3 PRCP 679/4885CYP2D6 13/4885CXCR4 2681/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 PRCP 2259/4885CYP2D6 4404/4885CXCR4 1/4885

“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.