SCHEMBL3920568

SCHEMBL3920568

Nc1ccccc1C(=O)C1CCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HSD11B1 P28845 1/20 0.47
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
CFTR P13569 1/20 0.43
TSHR P16473 3/20 0.42
POLB P06746 1/20 0.42
SRD5A2 P31213 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3908300 1.00 HDAC3 (0.54) HDAC3HDAC1HDAC2HSD11B1MGLL
SCHEMBL29953271 1.00 HDAC3 (0.54) HDAC3HDAC1HDAC2HSD11B1MGLL
SCHEMBL1341836 0.98 HDAC3 (0.51) HDAC3HDAC1HDAC2HSD11B1MGLL
SCHEMBL29990240 0.98 HDAC3 (0.51) HDAC3HDAC1HDAC2HSD11B1MGLL
SCHEMBL8880100 0.94 HSD11B1 (0.48) HDAC3HDAC1HDAC2HSD11B1MGLL
SCHEMBL6575271 0.90 HSD11B1 (0.50) HDAC3HDAC1HDAC2HSD11B1MGLL
SCHEMBL3918618 0.82 ALDH1A1 (0.47) HDAC3HDAC1HDAC2HSD11B1MGLL
SCHEMBL5209254 0.82 HTR3E (0.55) HSD11B1MGLLALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL5212698 0.81 HTR3E (0.54) HSD11B1MGLLALDH1A1KDM4EGAA
SCHEMBL26085824 0.80 KDM4E (0.49) HDAC3HDAC1HDAC2HSD11B1MGLL

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
US-20090062256-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-05 US disclosed
US-20090062256-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-05 US disclosed
US-20090062256-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-05 US disclosed
US-7456278-B2 Lactams substituted by cyclic succinates as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA CORPORATION (US) 2008-11-25 US disclosed
US-7456278-B2 Lactams substituted by cyclic succinates as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA CORPORATION (US) 2008-11-25 US disclosed
US-7456278-B2 Lactams substituted by cyclic succinates as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA CORPORATION (US) 2008-11-25 US disclosed
US-20080103128-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF ABETTA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-05-01 US disclosed
US-20080103128-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF ABETTA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-05-01 US disclosed
US-20080103128-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF ABETTA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-05-01 US disclosed
EP-0888317-B1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LTD (GB) 2001-09-12 EP disclosed
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 EP disclosed
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
US-5681833-A ADMINSTERING FOR TREATMENT OF PEPTIC ULCER MERCK, SHARP & DOHME LTD. (GB) 1997-10-28 US disclosed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 WO disclosed
US-5556969-A Benzodiazepine derivatives MERCK SHARP & DOHME LTD. (GB) 1996-09-17 US disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
EP-0636123-A1 3-UREIDO SUBSTITUTED BENZODIAZEPIN-2-ONES HAVING CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTIC ACTIVITY AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. (GB) 1995-02-01 EP disclosed
WO-1993019052-A1 3-UREIDO SUBSTITUTED BENZODIAZEPIN-2-ONES HAVING CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTIC ACTIVITY AND THEIR USE IN THERAPY MERCK SHARP & DOHME LIMITED (GB) 1993-09-30 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 (2 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-20090062256-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BACE1, APP, APH1A HDAC3 4341/4885HDAC1 1676/4885HDAC2 2288/4885
US-20080103128-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF ABETTA PROTEIN PRODUCTION APH1A, APH1B, APP HDAC3 4197/4885HDAC1 1762/4885HDAC2 1969/4885

“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.