SCHEMBL3090217

SCHEMBL3090217

CN(Cc1ccc(C(N)=O)cc1)C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.64
HRH4 Q9H3N8 1/20 0.64
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 4/20 0.46
PARP15 Q460N3 3/20 0.46
LTA4H P09960 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
LCK P06239 3/20 0.44
JAK3 P52333 3/20 0.44
PLA2G10 O15496 1/20 0.44
PLA2G2A P14555 1/20 0.44
PARP2 Q9UGN5 1/20 0.43
AGER Q15109 3/20 0.43
MTNR1A P48039 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
Hydrochloric Acid SCHEMBL28918864 0.98 HRH3 (0.62) HRH3HRH4PARP1PARP10PARP15
SCHEMBL2761949 0.85 HDAC1 (0.46) HRH3HRH4PARP10PLA2G10PLA2G2A
Hydrochloric Acid SCHEMBL10373952 0.85 HRH3 (0.64) HRH3HRH4PARP1LTA4HAGER
Hydrochloric Acid SCHEMBL10372313 0.84 HRH3 (0.62) HRH3HRH4PARP1LTA4HAGER
Hydrochloric Acid SCHEMBL28918867 0.84 HRH3 (0.62) HRH3HRH4PARP1LTA4H
SCHEMBL1345987 0.83 HRH3 (0.62) HRH3HRH4
SCHEMBL19444786 0.83 HRH3 (0.50) HRH3HRH4PARP1ITK
SCHEMBL3440387 0.81 HRH3 (0.58) HRH3HRH4PARP1KDM4EITK
SCHEMBL5065546 0.81 HRH3 (0.58) HRH3HRH4LTA4HKDM4E
SCHEMBL11620529 0.80 SLC6A2 (0.48) HRH3HRH4PARP10PARP15LCK

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
EP-2663312-B1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-10-11 EP disclosed
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
EP-1765803-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-28 EP disclosed
US-20060293379-A1 Quaternary salt CCR2 antagonists KENVUE BRANDS LLC 2006-12-28 US disclosed
WO-2006012135-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N. V. (BE) 2006-02-02 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 (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-20060293379-A1 Quaternary salt CCR2 antagonists CCR2, CCR1, CXCR2 HRH3 790/4885HRH4 626/4885PARP1 3173/4885

“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.