SCHEMBL16491449

SCHEMBL16491449

CCCCCCCCN(CCN(C)C)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 3/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ SIGMAR1 Q99720 3/20 0.46
▸ KCNH2 Q12809 1/20 0.44
▸ CNR2 P34972 3/20 0.42
▸ ICMT O60725 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ TACR1 P25103 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
SCHEMBL16491475 1.00 DNM1 (0.48) DNM1NPC1JAK2RAB9APAX8
SCHEMBL16491473 1.00 DNM1 (0.48) DNM1NPC1JAK2RAB9APAX8
SCHEMBL16491463 1.00 DNM1 (0.48) DNM1NPC1JAK2RAB9APAX8
SCHEMBL17151053 0.93 CNR2 (0.47) SIGMAR1CNR2
SCHEMBL11522611 0.93 NPC1 (0.51) NPC1JAK2RAB9APAX8SIGMAR1
SCHEMBL25224466 0.91 NPC1 (0.53) NPC1JAK2RAB9APAX8SIGMAR1
SCHEMBL25270420 0.91 NPC1 (0.53) NPC1JAK2RAB9APAX8SIGMAR1
SCHEMBL25230044 0.91 NPC1 (0.53) NPC1JAK2RAB9APAX8SIGMAR1
SCHEMBL25277336 0.91 NPC1 (0.53) NPC1JAK2RAB9APAX8SIGMAR1
SCHEMBL25276956 0.91 NPC1 (0.53) NPC1JAK2RAB9APAX8SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394253-B2 Kinase protein binding inhibitors HEALTH RESEARCH, INC. (US) 2016-07-19 — — US disclosed
US-20150051245-A1 KINASE PROTEIN BINDING INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-19 — — 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-20150051245-A1 KINASE PROTEIN BINDING INHIBITORS PACSIN2, PRKCH, CKS1B DNM1 2204/4885NPC1 2117/4885JAK2 443/4885

“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.

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