SCHEMBL3075455

SCHEMBL3075455

CN(CCc1ccc(N)cc1)C1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 9/20 0.43
CHIT1 Q13231 8/20 0.43
SIGMAR1 Q99720 3/20 0.42
CHI3L1 P36222 1/20 0.41
CHI3L2 Q15782 1/20 0.41
PIK3CD O00329 1/20 0.41
GRIN2B Q13224 2/20 0.41
GFER P55789 1/20 0.39
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL313877 0.84 HRH3 (0.51) PIK3CDGRIN2BNPC1RAB9A
SCHEMBL5212497 0.84 HRH3 (0.51) CHIACHIT1SIGMAR1GRIN2BGFER
Hydrochloric Acid SCHEMBL6340964 0.83 HRH3 (0.50) PIK3CDGRIN2BNPC1RAB9A
Hydrochloric Acid SCHEMBL7221627 0.83 HRH3 (0.50) PIK3CDGRIN2BNPC1RAB9A
SCHEMBL4903723 0.81 DRD3 (0.44) CHIACHIT1CHI3L1CHI3L2PIK3CD
SCHEMBL9451529 0.81 CHIA (0.54) CHIACHIT1SIGMAR1GFERNPC1
SCHEMBL3085819 0.79 SIGMAR1 (0.48) SIGMAR1
SCHEMBL31455232 0.77 TAS2R14 (0.41) CHIACHIT1SIGMAR1CHI3L1CHI3L2
SCHEMBL31455533 0.74 ALDH1A1 (0.39) CHIACHIT1SIGMAR1CHI3L1CHI3L2
SCHEMBL1968987 0.73 CHIA (0.54) CHIACHIT1SIGMAR1CHI3L1CHI3L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 US claimed
WO-2007084815-A2 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-26 WO claimed
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 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
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 US disclosed
WO-2007084815-A2 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-26 WO 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 (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-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS MAP4K2, MAP3K6, MAP3K2 CHIA 3668/4885CHIT1 4729/4885SIGMAR1 4432/4885
US-20060293379-A1 Quaternary salt CCR2 antagonists CCR2, CCR1, CXCR2 CHIA 782/4885CHIT1 455/4885SIGMAR1 858/4885

“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.