SCHEMBL4989950

SCHEMBL4989950

CSc1nccc(C)c1N

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 6/20 0.56
▸ NOS3 P29474 5/20 0.56
▸ LMNA P02545 1/20 0.38
▸ CCR1 P32246 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ CCR8 P51685 1/20 0.37
▸ NOS1 P29475 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LIMK1 P53667 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ CD44 P16070 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ROCK1 Q13464 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ MAP3K5 Q99683 1/20 0.31

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
SCHEMBL5942614 0.79 NOS2 (0.50) NOS2NOS3LMNACCR1CCR5
SCHEMBL8835609 0.78 NOS3 (0.35) NOS2NOS3NOS1MEN1KMT2A
SCHEMBL7850351 0.78 NOS2 (0.50) NOS2NOS3LMNACCR1CCR5
SCHEMBL1459909 0.74 CCR1 (0.37) NOS2NOS3LMNACCR1CCR5
SCHEMBL19880575 0.72 NOS3 (0.31) NOS2NOS3
SCHEMBL30374657 0.72 — —
SCHEMBL29507149 0.72 — —
SCHEMBL1502884 0.72 — —
SCHEMBL580504 0.72 — —
Ammonia Solution, Strong SCHEMBL28486618 0.70 NOS2 (0.62) NOS2NOS3LMNACCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2018-01-18 — — US disclosed
US-7414066-B2 Amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2008-08-19 — — US disclosed
US-7393866-B2 Amide compounds and medications containing the same KOWA COMPANY, LTD. (JP) 2008-07-01 — — US disclosed
EP-0979823-B1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2006-03-29 — — EP disclosed
US-20050131001-A1 Novel amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2005-06-16 — — US disclosed
US-20050131002-A1 Novel amide compounds and medications containing the same KOWA COMPANY LTD. (JP) 2005-06-16 — — US disclosed
US-6849647-B1 Amide compounds and medications containing the same technical field KOWA COMPANY, LTD. (JP) 2005-02-01 — — US disclosed
EP-0979823-A1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME Kowa Company Ltd. (JP) 2000-02-16 — — 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 (3 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-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 NOS2 1227/4885NOS3 887/4885LMNA 3475/4885
US-20050131001-A1 Novel amide compounds and medications containing the same technical field ACAT2, SULT2A1, ACAT1 NOS2 776/4885NOS3 571/4885LMNA 4703/4885
US-20050131002-A1 Novel amide compounds and medications containing the same ACAT2, SULT2A1, ACAT1 NOS2 724/4885NOS3 468/4885LMNA 4629/4885

“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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