SCHEMBL555604

SCHEMBL555604

CN(CCc1ccccc1Br)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.62
HPGD P15428 1/20 0.47
CDK4 P11802 3/20 0.46
CCND1 P24385 3/20 0.46
GPR52 Q9Y2T5 1/20 0.45
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PYCR1 P32322 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL27730950 0.89 TAAR1 (0.53) TAAR1HPGDCDK4CCND1GPR52
SCHEMBL31719788 0.86 TAAR1 (0.62) TAAR1HPGDCDK4CCND1GPR52
SCHEMBL15269326 0.82 HPGD (0.54) TAAR1HPGDTSHRKMT2AMEN1
SCHEMBL16333188 0.81 HTR1A (0.54) TAAR1CDK4CCND1KMT2ANPC1
SCHEMBL19970338 0.80 KMT2A (0.50) TAAR1HPGDKMT2AMEN1ALDH1A1
SCHEMBL2189394 0.80 TAAR1 (0.54) TAAR1HPGDCDK4CCND1GPR52
SCHEMBL18422574 0.79 TAAR1 (0.62) TAAR1CDK4CCND1KMT2AMEN1
SCHEMBL27759121 0.79 SIGMAR1 (0.47) HPGDCDK4CCND1KMT2AALDH1A1
SCHEMBL27730951 0.79 TAAR1 (0.44) TAAR1HPGDCDK4CCND1KMT2A
SCHEMBL27730949 0.78 RIPK1 (0.40) TAAR1CDK4CCND1KMT2AMEN1

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
US-7034015-B2 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2006-04-25 US claimed
EP-1423356-A2 NOVEL AMINOBENZOEPHENONES Leo Pharma A/S (DK) 2004-06-02 EP claimed
US-20030119902-A1 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2003-06-26 US claimed
WO-2003018535-A2 NOVEL AMINOBENZOEPHENONES LEO PHARMA A/S (DK) 2003-03-06 WO claimed
US-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
US-7034015-B2 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2006-04-25 US disclosed
EP-1423356-A2 NOVEL AMINOBENZOEPHENONES Leo Pharma A/S (DK) 2004-06-02 EP disclosed
US-20030119902-A1 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2003-06-26 US disclosed
WO-2003018535-A2 NOVEL AMINOBENZOEPHENONES LEO PHARMA A/S (DK) 2003-03-06 WO 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 TAAR1 1781/4885HPGD 757/4885CDK4 998/4885
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 TAAR1 1133/4885HPGD 917/4885CDK4 597/4885
US-20030119902-A1 Interleukin 1 beta and tumour necrosis factor alpha inhibitors IL1B, IL1A, TNF TAAR1 3169/4885HPGD 392/4885CDK4 1539/4885

“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.