SCHEMBL3308170

SCHEMBL3308170

C[C@@H]1Cc2cc(Br)ccc2C(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
ADRA2A P08913 3/20 0.50
PNMT P11086 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
TDP2 O95551 3/20 0.50
PARP10 Q53GL7 2/20 0.50
PARP11 Q9NR21 1/20 0.50
MKNK1 Q9BUB5 1/20 0.49
METAP1 P53582 2/20 0.46
CDC7 O00311 1/20 0.40
PBRM1 Q86U86 1/20 0.40
PARP1 P09874 1/20 0.39
BRD4 O60885 1/20 0.37
S100A4 P26447 1/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SRD5A1 P18405 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL2170999 1.00 TSHR (0.60) TSHRADRA2APNMTADRA2BADRA2C
SCHEMBL21333673 0.87 TSHR (0.60) TSHRADRA2APNMTADRA2BADRA2C
SCHEMBL30285537 0.87 TSHR (0.60) TSHRADRA2APNMTADRA2BADRA2C
SCHEMBL14991244 0.80 TSHR (0.60) TSHRTDP2PARP10MKNK1METAP1
SCHEMBL29163372 0.80 PARP10 (0.50) TSHRADRA2APNMTADRA2BADRA2C
SCHEMBL14991559 0.80 TSHR (0.60) TSHRTDP2PARP10MKNK1METAP1
SCHEMBL14991246 0.80 TSHR (0.60) TSHRTDP2PARP10MKNK1METAP1
SCHEMBL26849175 0.78 TSHR (0.57) TSHRMKNK1CDC7BRD4LMNA
SCHEMBL29019183 0.76 TSHR (0.55) TSHRTDP2MKNK1CDC7SRD5A1
SCHEMBL27160183 0.76 PNMT (0.54) TSHRADRA2APNMTADRA2BADRA2C

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-8309542-B2 Substituted pyrrolidine amides, the production thereof, and the use thereof as medications BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
EP-2132193-B1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
EP-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 EP disclosed
WO-2008135524-A2 SUBSTITUTED ANTHRANILAMIDES AND ANALOGUES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed
WO-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 WO disclosed
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 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 (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-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS DDC, GLS, UROD TSHR 1262/4885ADRA2A 1033/4885PNMT 253/4885

“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.