SCHEMBL20202273

SCHEMBL20202273

Cc1cc(C)cc(-c2nnn(C)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TP53 P04637 1/20 0.37
EPHX2 P34913 1/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
NOTUM Q6P988 1/20 0.34
LTA4H P09960 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
KCNH2 Q12809 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL513853 0.81 LMNA (0.54) HRH4SMN1; SMN2RAB9ANPC1TP53
SCHEMBL12457556 0.81 PPARA (0.41) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL5775 0.79 LTA4H (0.51) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL8553788 0.79 CA1 (0.46) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL20119103 0.79 ALDH1A1 (0.46) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL8211754 0.78 TRPM8 (0.46) HRH4SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL1674237 0.73 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL17825433 0.71 CYP19A1 (0.48) SMN1; SMN2LMNACYP2C9
SCHEMBL3343755 0.71 RAB9A (0.44) HRH4SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL6609423 0.71 TRPV1 (0.42) SMN1; SMN2RAB9ANPC1NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919859-B2 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-16 US disclosed
US-10793530-B2 Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-06 US disclosed
US-20190352266-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-11-21 US disclosed
US-20190241521-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-08 US disclosed
US-10253004-B2 Indanylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-04-09 US disclosed
US-20180208560-A1 Indanylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-26 US disclosed
US-20180148411-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-31 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 (7 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-20190241521-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 HRH4 218/4885SMN1; SMN2 4371/4885RAB9A 4137/4885
US-10253004-B2 Indanylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR55, GPR65 HRH4 158/4885SMN1; SMN2 4634/4885RAB9A 4154/4885
US-10919859-B2 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 HRH4 212/4885SMN1; SMN2 4414/4885RAB9A 4080/4885
US-10793530-B2 Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 HRH4 173/4885SMN1; SMN2 4442/4885RAB9A 3948/4885
US-20180208560-A1 Indanylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR55, GPR65 HRH4 158/4885SMN1; SMN2 4634/4885RAB9A 4154/4885
US-20180148411-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPR65, GPR55 HRH4 204/4885SMN1; SMN2 4499/4885RAB9A 4121/4885
US-20190352266-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 HRH4 212/4885SMN1; SMN2 4414/4885RAB9A 4080/4885

“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.