SCHEMBL16419772

SCHEMBL16419772

NCCCOc1cc(OCCCN)cc(-c2ccc3ccc(-c4cc(OCCCN)cc(OCCCN)c4)cc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF3R Q99062 1/20 0.42
▸ ABL1 P00519 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ AGXT P21549 2/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ PRKD3 O94806 1/20 0.35

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
SCHEMBL16419743 0.92 CHRNB2 (0.43) CSF3RHSD17B1HSD17B2CHRNB2CHRNB4
SCHEMBL16172408 0.84 CSF3R (0.40) CSF3RNOS3NOS1NOS2HTR1B
SCHEMBL16419782 0.81 CYP1A1 (0.48) CSF3RABL1ABCB1BCRNOS3
SCHEMBL15805902 0.81 CYP1A1 (0.48) CSF3RABL1ABCB1BCRNOS3
SCHEMBL16419784 0.79 HTR1B (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16172528 0.79 CSF3R (0.43) CSF3RNOS3NOS1NOS2AKT1
SCHEMBL16447478 0.78 TAAR1 (0.44) NOS3NOS1NOS2HTR1BAKT1
SCHEMBL16419791 0.77 NOS3 (0.43) CSF3RABL1ABCB1BCRNOS3
SCHEMBL15805864 0.77 PIM1 (0.43) CSF3RNOS3NOS1NOS2HTR1B
SCHEMBL15036883 0.76 TAAR1 (0.48) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469616-B2 Cyclic compounds and methods of making and using the same CELLCEUTIX CORPORATION (US) 2016-10-18 — — US disclosed
US-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF MASSACHUSETTS (US) 2015-01-29 — — US disclosed
US-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF MASSACHUSETTS (US) 2015-01-29 — — 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-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MUC1, TLR3, ALG1 CSF3R 1110/4885ABL1 4833/4885ABCB1 4096/4885

“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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