SCHEMBL1952

SCHEMBL1952

CC(=O)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.59
HSD11B1 P28845 9/20 0.58
ALDH1A1 P00352 3/20 0.50
NCOA1 Q15788 1/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR2 O15552 3/20 0.47
HDAC1 Q13547 1/20 0.46

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
SCHEMBL12020281 0.94 HDAC4 (0.62) HDAC4HSD11B1ALDH1A1LMNAMAPT
SCHEMBL3406369 0.92 HSD11B1 (0.56) HDAC4HSD11B1ALDH1A1LMNASMN1; SMN2
SCHEMBL652508 0.84 DRD2 (0.56) HDAC4HSD11B1
SCHEMBL8353588 0.82 MAPT (0.46) HDAC4HSD11B1ALDH1A1LMNAMAPT
SCHEMBL3443425 0.82 HDAC4 (0.61) HDAC4HSD11B1ALDH1A1LMNAFFAR2
SCHEMBL1794 0.82 AKR1C1 (0.62) HDAC4HSD11B1ALDH1A1FFAR2HDAC1
SCHEMBL12104025 0.82 OPRM1 (0.63) HSD11B1ALDH1A1LMNAMAPT
SCHEMBL10002416 0.81 HDAC4 (0.59) HDAC4HSD11B1ALDH1A1LMNAFFAR2
SCHEMBL5635956 0.81 HDAC4 (0.59) HDAC4HSD11B1ALDH1A1LMNAFFAR2
SCHEMBL12981104 0.81 HDAC1 (0.47) HDAC4HSD11B1ALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-5047432-A Antidepressants THE BOOTS COMPANY PLC (GB) 1991-09-10 US disclosed
US-4925879-A ANTIDEPRESSANTS BOOTS COMPANY, PLC (GB) 1990-05-15 US disclosed
US-4814352-A ANTIDEPRESSANT CYCLOBUTYL BENZYLAMINE THE BOOTS COMPANY PLC (GB) 1989-03-21 US disclosed
US-4806570-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1989-02-21 US disclosed
US-4767790-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1988-08-30 US disclosed
EP-0191542-B1 ARYLCYCLOBUTYLALKYL AMINES AND THEIR USE AS ANTIDEPRESSIVE MEDICINES The Boots Company PLC (GB) 1988-06-08 EP disclosed
US-4746680-A ANTIDEPRESSANTS THE BOOTS COMPANY P.L.C. (GB) 1988-05-24 US disclosed
EP-0191542-A1 Arylcyclobutylalkyl amines and their use as antidepressive medicines The Boots Company PLC (GB) 1986-08-20 EP disclosed
US-4522828-A CYCLOBUTYLALKYLAMINE COMPOUNDS, ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1985-06-11 US disclosed
US-4443449-A Arylcyclobutylalkylamines and anti-depression composition and methods using same THE BOOTS COMPANY LIMITED (GB) 1984-04-17 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-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 HDAC4 2750/4885HSD11B1 4193/4885ALDH1A1 3966/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 HDAC4 2750/4885HSD11B1 4193/4885ALDH1A1 3966/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 HDAC4 2750/4885HSD11B1 4193/4885ALDH1A1 3966/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS HDAC4 2374/4885HSD11B1 4111/4885ALDH1A1 3872/4885

“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.