SCHEMBL18471235

SCHEMBL18471235

Cc1cc(-c2ccc(=O)n(C)c2)cc(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 11/20 0.50
▸ TLR8 Q9NR97 3/20 0.47
▸ TLR4 O00206 2/20 0.47
▸ TLR9 Q9NR96 1/20 0.47
▸ TLR7 Q9NYK1 1/20 0.47
▸ BRD9 Q9H8M2 2/20 0.41
▸ CREBBP Q92793 4/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ BMPR1B O00238 1/20 0.40
▸ BMPR1A P36894 1/20 0.40
▸ ACVRL1 P37023 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40

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
SCHEMBL15262095 0.85 BRD4 (0.47) BRD4TLR8TLR4TLR9TLR7
SCHEMBL18518471 0.85 ALDH1A1 (0.50) BRD4TLR8TLR4TLR9TLR7
SCHEMBL18483006 0.82 BRD4 (0.51) BRD4TLR8TLR4TLR9TLR7
SCHEMBL18647162 0.82 BRD4 (0.47) BRD4TLR8TLR4TLR9TLR7
SCHEMBL16573986 0.78 BRD4 (0.50) BRD4CREBBPDYRK1ABMPR1BBMPR1A
SCHEMBL1571625 0.77 BRD4 (0.50) BRD4TLR8TLR4TLR9TLR7
SCHEMBL15889927 0.77 BRD4 (0.50) BRD4TLR8TLR4TLR9TLR7
SCHEMBL27263481 0.76 BRD4 (0.67) BRD4TLR8TLR4TLR9TLR7
SCHEMBL13680661 0.74 BRD4 (0.64) BRD4CREBBPBMPR1BBMPR1AACVRL1
SCHEMBL15889929 0.74 BRD4 (0.59) BRD4BRD9CREBBPBMPR1BBMPR1A

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
EP-3573959-B1 BENZYLAMINOPYRAZINYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2021-07-28 — — EP disclosed
EP-3573952-B1 BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICALCOMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2021-07-14 — — EP disclosed
EP-3573965-B1 INDANYLAMINOPYRAZINYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2021-06-23 — — EP disclosed
EP-3544958-B1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2021-03-24 — — EP disclosed
EP-3532458-B1 BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2021-01-20 — — EP disclosed
EP-3331860-B1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-07-17 — — EP disclosed
US-9617251-B2 Indanylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-04-11 — — US disclosed
US-20170037040-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-09 — — 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-20170037040-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPR55, GPR65 BRD4 1528/4885TLR8 766/4885TLR4 215/4885

“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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