SCHEMBL4144964

SCHEMBL4144964

CCC(=O)N(C)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.56
LTB4R2 Q9NPC1 8/20 0.56
KMT2A Q03164 2/20 0.54
TAAR1 Q96RJ0 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MLYCD O95822 1/20 0.51
AOC3 Q16853 1/20 0.50
NPY5R Q15761 1/20 0.50
OPRM1 P35372 2/20 0.49

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
SCHEMBL12017300 0.86 KMT2A (0.60) LTB4RLTB4R2KMT2ATAAR1NPC1
SCHEMBL22964339 0.85 ALOX5 (0.55) LTB4RLTB4R2KMT2ANPC1RAB9A
SCHEMBL14219225 0.85 KMT2A (0.74) LTB4RLTB4R2KMT2ATAAR1NPC1
SCHEMBL5146509 0.85 LTB4R (0.56) LTB4RLTB4R2KMT2ATAAR1NPC1
SCHEMBL5146515 0.85 LTB4R (0.56) LTB4RLTB4R2KMT2ATAAR1NPC1
SCHEMBL6292929 0.84 LTB4R (0.55) LTB4RLTB4R2KMT2ATAAR1NPC1
SCHEMBL8472943 0.84 LTB4R (0.55) LTB4RLTB4R2KMT2ATAAR1NPC1
SCHEMBL2062823 0.84 RAB9A (0.69) LTB4RLTB4R2KMT2ATAAR1NPC1
SCHEMBL10761409 0.84 AOC3 (0.56) LTB4RLTB4R2KMT2ATAAR1NPC1
SCHEMBL11194237 0.84 NPC1 (0.58) LTB4RLTB4R2KMT2ATAAR1NPC1

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-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US claimed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US claimed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US claimed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
WO-2019196953-A1 NTCP INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-10-17 WO disclosed
WO-2014044849-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-27 WO disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 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 (4 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 LTB4R 3107/4885LTB4R2 3859/4885KMT2A 968/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 LTB4R 988/4885LTB4R2 1013/4885KMT2A 1524/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 LTB4R 1363/4885LTB4R2 1885/4885KMT2A 4720/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 LTB4R 733/4885LTB4R2 929/4885KMT2A 4761/4885

“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.