SCHEMBL18471249

SCHEMBL18471249

COc1cc(-c2cc(C)c(C)c(C)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.46
ACVR2A P27037 5/20 0.45
TGFBR2 P37173 5/20 0.45
TGFBR1 P36897 3/20 0.45
LOX P28300 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
CNR1 P21554 1/20 0.44
DYRK1A Q13627 2/20 0.43
LRRK2 Q5S007 1/20 0.43
AAK1 Q2M2I8 4/20 0.43
NR4A2 P43354 1/20 0.42
DHODH Q02127 1/20 0.42
MAPT P10636 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP3A4 P08684 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39
FAAH O00519 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
SCHEMBL16116782 0.86 LOX (0.55) S1PR1ACVR2ATGFBR2TGFBR1LOX
SCHEMBL30626327 0.86 LOX (0.55) S1PR1ACVR2ATGFBR2TGFBR1LOX
SCHEMBL15261990 0.86 S1PR1 (0.47) S1PR1ACVR2ATGFBR2TGFBR1LOX
SCHEMBL30531646 0.86 S1PR1 (0.47) S1PR1ACVR2ATGFBR2TGFBR1LOX
SCHEMBL20119880 0.86 CYP3A4 (0.48) S1PR1ACVR2ATGFBR2TGFBR1LOX
SCHEMBL18481804 0.85 LOX (0.47) S1PR1ACVR2ATGFBR2TGFBR1LOX
SCHEMBL30531656 0.82 LRRK2 (0.44) S1PR1ACVR2ATGFBR2TGFBR1LOX
SCHEMBL13036116 0.81 DYRK1A (0.55) S1PR1ACVR2ATGFBR2LOXLOXL2
SCHEMBL12441340 0.81 DYRK1A (0.65) S1PR1ACVR2ATGFBR2TGFBR1LOX
SCHEMBL15889947 0.79 S1PR1 (0.68) S1PR1ACVR2ATGFBR2LOXLOXL2

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 11 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
WO-2018095877-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-31 WO disclosed
WO-2018077699-A1 BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-03 WO disclosed
US-9617251-B2 Indanylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-04-11 US disclosed
WO-2017025368-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-16 WO 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 S1PR1 338/4885ACVR2A 369/4885TGFBR2 241/4885

“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.