SCHEMBL16464492

SCHEMBL16464492

Cc1nc(N2CCNCC2)cc(C(C)(C)C)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 6/20 0.48
▸ CASP1 P29466 1/20 0.47
▸ CASP4 P49662 1/20 0.47
▸ CASP5 P51878 1/20 0.47
▸ ADRB1 P08588 2/20 0.46
▸ NCF1 P14598 1/20 0.46
▸ KMT2A Q03164 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39

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
SCHEMBL2254829 0.86 ADRB2 (0.51) HRH4CASP1CASP4CASP5ADRB1
SCHEMBL2349531 0.84 HRH4 (0.48) HRH4CASP1CASP4CASP5ADRB1
SCHEMBL12548636 0.83 KMT2A (0.54) HRH4KMT2ADRD2DRD3
SCHEMBL605575 0.83 HRH4 (0.66) HRH4CASP1CASP4CASP5
SCHEMBL24122639 0.82 HRH4 (0.69) HRH4DRD2DRD3
SCHEMBL30376883 0.80 CASP1 (0.53) HRH4CASP1CASP4CASP5ADRB1
SCHEMBL14538233 0.80 CASP1 (0.53) HRH4CASP1CASP4CASP5ADRB1
SCHEMBL4400450 0.77 CHRM3 (0.50) HRH4CASP1CASP4CASP5ADRB1
SCHEMBL20905447 0.77 KMT2A (0.51) HRH4CASP1CASP4CASP5ADRB1
SCHEMBL11916015 0.75 HRH4 (0.56) HRH4CASP1CASP4CASP5ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906221-B1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RES INST (US) 2019-05-15 — — EP disclosed
US-9969743-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2018-05-15 — — US disclosed
US-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE 2017-07-06 — — US disclosed
US-9598387-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2017-03-21 — — US disclosed
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2015-08-20 — — US disclosed
EP-2906221-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF Southern Research Institute (US) 2015-08-19 — — EP disclosed
WO-2014059265-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2014-04-17 — — 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 (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-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF HTR2C, HTR4, HTR2A HRH4 29/4885CASP1 4217/4885CASP4 2009/4885
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF DRD2, CHRM2, NPY2R HRH4 231/4885CASP1 4714/4885CASP4 3889/4885

“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.

Send feedback