SCHEMBL17329451

SCHEMBL17329451

C1C[C@@H]2C[C@H]1[C@H]1CNC[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.41
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
MAN1B1 Q9UKM7 1/20 0.30

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
SCHEMBL8369071 1.00 CCR5 (0.41) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL26080510 1.00 CCR5 (0.41) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL32673182 0.97 CCR5 (0.39) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL26081360 0.89 CCR5 (0.40) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL32167197 0.86 CCR5 (0.47) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL32672841 0.83 CCR5 (0.44) CCR5MAN1B1
SCHEMBL26081363 0.79 HTR2C (0.39) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL23743116 0.70
SCHEMBL1338774 0.70
SCHEMBL4773512 0.70 CCR5 (0.67) CCR5CHRNB2CHRNB4CHRNA3CHRNA7

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
EP-3154967-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES Johnson Matthey Public Limited Company (GB) 2017-04-19 EP claimed
WO-2015195478-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2015-12-23 WO claimed
US-9790237-B2 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-10-17 US disclosed
US-20150361099-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2015-12-17 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 (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-20150361099-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES NR5A2, NR4A3, NR4A2 CCR5 1034/4885CHRNB2 959/4885CHRNB4 408/4885

“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.