SCHEMBL759564

SCHEMBL759564

CC(C)CCCN1CCCC1C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.46
HRH3 Q9Y5N1 13/20 0.44
CXCR4 P61073 6/20 0.43

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
SCHEMBL9884617 0.94 CXCR4 (0.49) GBA1HRH3CXCR4
SCHEMBL441538 0.88 HRH3 (0.46) HRH3
SCHEMBL26012969 0.88 HRH3 (0.46) HRH3
SCHEMBL21232428 0.88 HRH3 (0.46) HRH3
SCHEMBL26075180 0.88 GBA1 (0.53) GBA1HRH3CXCR4
SCHEMBL23828668 0.83 HRH3 (0.52) HRH3CXCR4
SCHEMBL23828676 0.83 HRH3 (0.52) HRH3CXCR4
SCHEMBL9324617 0.83 HRH3 (0.38) HRH3CXCR4
SCHEMBL14260746 0.82 CXCR4 (0.44) HRH3CXCR4
SCHEMBL24682265 0.82 HRH3 (0.41) HRH3CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9895443-B2 Multi-tailed lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-02-20 US disclosed
US-9895443-B2 Multi-tailed lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-02-20 US disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 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 (3 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 GBA1 4699/4885HRH3 1676/4885CXCR4 3403/4885
US-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 GBA1 3879/4885HRH3 2/4885CXCR4 157/4885
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR GBA1 4767/4885HRH3 1946/4885CXCR4 3556/4885

“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.