SCHEMBL21039320

SCHEMBL21039320

FC1(F)CCCNCCNCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.35
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
PDE4A P27815 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL2519854 0.97
Hydrochloric Acid SCHEMBL937458 0.94 CXCR4 (0.35) CXCR4SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL3662239 0.92 CXCR4 (0.33) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL22183528 0.91 CXCR4 (0.41) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
4,4-Difluoro-Piperidinium SCHEMBL13457 0.85
4,4-Difluoro-Piperidinium SCHEMBL19410291 0.82
4,4-Difluoro-Piperidinium SCHEMBL16582 0.82
4,4-Difluoro-Piperidinium SCHEMBL29154751 0.82
4,4-Difluoro-Piperidinium SCHEMBL1000443 0.82
4,4-Difluoro-Piperidinium SCHEMBL27142480 0.82 HIF1A (0.33) HIF1AMAPTPDE4AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
US-10632128-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-04-28 US disclosed
US-10300075-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2019-05-28 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-10632128-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 CXCR4 2449/4885SMN1; SMN2 1842/4885ALDH1A1 1575/4885
US-10300075-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 CXCR4 2449/4885SMN1; SMN2 1842/4885ALDH1A1 1575/4885

“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.