SCHEMBL7849306

SCHEMBL7849306

CC(C)C(=O)N1C2CCC1CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
CHRM1 P11229 2/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
PIK3CD O00329 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
ELANE P08246 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31

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
SCHEMBL16866232 0.93 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C19CHRM1
SCHEMBL20090738 0.93 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C19CHRM1
SCHEMBL16920563 0.84 LMNA (0.52) ALDH1A1CYP1A2CYP3A4CYP2C19CHRM1
SCHEMBL15851267 0.84 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C19CHRM1
SCHEMBL15851271 0.84 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C19CHRM1
SCHEMBL18347994 0.84 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C19CHRM1
SCHEMBL16866231 0.84 LMNA (0.52) ALDH1A1CYP1A2CYP3A4CYP2C19CHRM1
SCHEMBL15196701 0.83 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2C19CHRM1
SCHEMBL18711729 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4CYP2C19CHRM1
SCHEMBL19473329 0.80 CYP1A2 (0.40) ALDH1A1CYP1A2CYP3A4CYP2C19CHRM1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189048-B1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-03-17 EP disclosed
EP-3426640-B1 PRMT5 INHIBITORS CTXT PTY LTD (AU) 2020-11-18 EP disclosed
US-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors CTXT PTY. LTD. (AU) 2018-06-26 US disclosed
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-11-02 US disclosed
US-7414057-B2 Piperazine urea derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-08-19 US disclosed
EP-0986385-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2001-05-16 EP disclosed
EP-1011667-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2001-03-28 EP disclosed
EP-1011667-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (a New Jersey corp.) (US) 2000-06-28 EP disclosed
EP-0986550-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-03-22 EP disclosed
EP-0986385-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO. INC. (US) 2000-03-22 EP disclosed
WO-1998055119-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed
WO-1998055470-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed
WO-1998055116-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 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-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors PRMT5, PRMT1, PRMT3 ALDH1A1 2987/4885CYP1A2 767/4885CYP3A4 1248/4885
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 ALDH1A1 2910/4885CYP1A2 820/4885CYP3A4 1299/4885

“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.