SCHEMBL19288558

SCHEMBL19288558

CCOC1CCN(I)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
CCR5 P51681 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 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
SCHEMBL27364774 0.81 EPHX2 (0.37) NPC1
SCHEMBL184319 0.79
SCHEMBL12855787 0.79 ALDH1A1 (0.39)
SCHEMBL1158572 0.78 NCF1 (0.41) NPC1
SCHEMBL28266403 0.76 NPC1 (0.30) NPC1CCR5PIK3CAMTOR
SCHEMBL21599180 0.76
SCHEMBL15888619 0.76 PIK3CA (0.34) NPC1CCR5PIK3CAMTOR
SCHEMBL9035539 0.76 NPC1 (0.30) NPC1CCR5PIK3CAMTOR
SCHEMBL7903518 0.76 HRH3 (0.43) NPC1CCR5
Ammonia Solution, Strong SCHEMBL8076657 0.76

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
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2022-01-06 US disclosed
US-11046706-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2021-06-29 US disclosed
WO-2020216298-A1 HDAC INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 成都先导药物开发股份有限公司 2020-10-29 WO disclosed
US-20190300541-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2019-10-03 US disclosed
EP-2300013-B1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2017-09-06 EP disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 EP 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 (4 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-20190300541-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 NPC1 1419/4885CCR5 5/4885PIK3CA 4754/4885
US-11046706-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 NPC1 1419/4885CCR5 5/4885PIK3CA 4754/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 NPC1 1419/4885CCR5 5/4885PIK3CA 4754/4885
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 NPC1 1419/4885CCR5 5/4885PIK3CA 4754/4885

“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.