SCHEMBL4563541

SCHEMBL4563541

CC1(C)c2cc(C(=O)N3CCNCC3)ccc2N[C@@H]2c3c(F)cccc3OC[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
BDKRB1 P46663 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
PRKAG1 P54619 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKLR P30613 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34

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
SCHEMBL4597471 0.88 ACACB (0.39) MEN1USP2KMT2AGAACCNC
SCHEMBL4565791 0.77 ALDH1A1 (0.41) MEN1USP2KMT2AALDH1A1
SCHEMBL4555973 0.73 MAPT (0.36)
SCHEMBL4611328 0.72 F10 (0.36) MEN1USP2KMT2AALDH1A1
SCHEMBL4816574 0.72 PARP1 (0.34)
SCHEMBL4439335 0.71 LMNA (0.34) HPGD
SCHEMBL4814831 0.71 LMNA (0.34) HPGD
SCHEMBL4597474 0.70 SIGMAR1 (0.37) MEN1USP2KMT2ASIGMAR1GABRD
SCHEMBL4556213 0.70 GAA (0.34) GAAPRKAG1PRKAA1PRKAB1
SCHEMBL4447281 0.69 KMT2A (0.43) MEN1KMT2AGAAPRKAG1PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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 (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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP MEN1 4424/4885USP2 3243/4885KMT2A 4193/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP MEN1 4424/4885USP2 3243/4885KMT2A 4193/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP MEN1 4424/4885USP2 3243/4885KMT2A 4193/4885

“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.