SCHEMBL3746921

SCHEMBL3746921

COCC1(C(=O)N2CCc3c(C#N)cc(C(F)(F)F)cc3C2)CCN(Cc2ccc3oc(=O)n(C)c3c2)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 10/20 0.35
▸ USP2 O75604 9/20 0.35
▸ TSHR P16473 6/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2D6 P10635 7/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2C19 P33261 3/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CTSC P53634 1/20 0.32
▸ CACNA1G O43497 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32

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
SCHEMBL1119889 0.88 CCR2 (0.36) CYP3A4USP2TSHRCYP2D6GLA
SCHEMBL13011668 0.85 CCR2 (0.39) CYP3A4KCNH2
SCHEMBL13011667 0.85 CCR2 (0.39) CYP3A4KCNH2
SCHEMBL1120068 0.85 CCR2 (0.39) CYP3A4KCNH2
SCHEMBL13011569 0.82 SLC6A9 (0.36) CYP3A4USP2TSHRCYP2D6MEN1
SCHEMBL1119320 0.82 SLC6A9 (0.36) CYP3A4USP2TSHRCYP2D6MEN1
SCHEMBL1119804 0.82 ALDH1A1 (0.42) CYP3A4TSHRSMN1; SMN2CYP2D6ALDH1A1
SCHEMBL13043838 0.82 CCR2 (0.34) KCNH2
SCHEMBL1119752 0.81 CYP3A4 (0.35) CYP3A4USP2TSHRSMN1; SMN2CYP1A2
SCHEMBL13043949 0.81 CCR2 (0.35) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569282-B2 Carboxamide compounds and their use CYTOPATHFINDER, INC. (JP) 2013-10-29 — — US claimed
US-20100324035-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-23 — — US claimed
US-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS JONES SIMON 2010-11-11 — — US claimed
US-8569282-B2 Carboxamide compounds and their use CYTOPATHFINDER, INC. (JP) 2013-10-29 — — US disclosed
US-8569282-B2 Carboxamide compounds and their use CYTOPATHFINDER, INC. (JP) 2013-10-29 — — US disclosed
US-8569282-B2 Carboxamide compounds and their use CYTOPATHFINDER, INC. (JP) 2013-10-29 — — US disclosed
US-20100324035-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-23 — — US disclosed
US-20100324035-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-23 — — US disclosed
US-20100324035-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-23 — — US disclosed
US-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS JONES SIMON 2010-11-11 — — US disclosed
US-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS JONES SIMON 2010-11-11 — — US disclosed
WO-2010129843-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS CYTOPATHFINDER, INC. (JP) 2010-11-11 — — WO disclosed
WO-2009076512-A1 CARBOXAMIDΞ COMPOUNDS AND THEIR USE AS CHEMOKINE RECEPTOR AGONISTS EPIX DELAWARE, INC. (US) 2009-06-18 — — 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-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS ALDH1A2, QDPR, PDE6C CYP3A4 2839/4885USP2 4672/4885TSHR 1798/4885
US-20100324035-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 CYP3A4 1316/4885USP2 4146/4885TSHR 1031/4885

“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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