SCHEMBL21744416

SCHEMBL21744416

CN1CCC(N(C)c2cccc3c2CCNC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.47
CD44 P16070 2/20 0.43
TIPARP Q7Z3E1 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
PNMT P11086 2/20 0.36
MAOB P27338 1/20 0.36
HTR2C P28335 9/20 0.35
HTR2A P28223 4/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2B P41595 2/20 0.34

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
SCHEMBL329305 0.77 CD44 (0.56) CD44PNMTMAOBHTR2C
Hydrochloric Acid SCHEMBL21326092 0.75 CD44 (0.54) CD44PNMTMAOBHTR2C
Hydrochloric Acid SCHEMBL2808299 0.75 CD44 (0.54) CD44PNMTMAOBHTR2C
Hydrochloric Acid SCHEMBL29586472 0.75 CD44 (0.54) CD44PNMTMAOBHTR2C
SCHEMBL21743765 0.74 CXCR4 (0.48) CXCR4CD44TIPARPCD274HTR2C
SCHEMBL5776030 0.72 CD44 (0.44) CD44TIPARPCD274HTR2CHTR2A
SCHEMBL21743768 0.72 CXCR4 (0.48) CXCR4CD44TIPARPHTR2CHTR2A
SCHEMBL10061679 0.71 CXCR4 (0.41) CXCR4TIPARPHTR2CHTR2APOLB
SCHEMBL15227772 0.69 HTR2A (0.54) HTR2CHTR2APOLBTSHRMAPK1
SCHEMBL24913833 0.69 PNMT (0.41) CD44TIPARPPNMTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 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 (2 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 CXCR4 1/4885CD44 407/4885TIPARP 2290/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 CXCR4 1/4885CD44 407/4885TIPARP 2290/4885

“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.