SCHEMBL4599218

SCHEMBL4599218

Cc1cccc2c1SCC1[C@@H]2Nc2ccccc2C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HTR2C P28335 2/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PBRM1 Q86U86 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL4597407 1.00 CREBBP (0.32) CREBBPNPSR1HTR2CNPC1LMNA
SCHEMBL4817855 0.84 ALDH1A1 (0.37) CREBBPHTR2CNPC1TP53RAB9A
SCHEMBL4598285 0.84 ALDH1A1 (0.37) CREBBPHTR2CNPC1TP53RAB9A
SCHEMBL4555945 0.75 CREBBP (0.36) CREBBPNPSR1HTR2CLMNAPBRM1
SCHEMBL4555685 0.75 CREBBP (0.36) CREBBPNPSR1HTR2CLMNAPBRM1
SCHEMBL4810522 0.71 HSD11B1 (0.38) CREBBPHTR2CNPC1TP53RAB9A
SCHEMBL4815232 0.70 CREBBP (0.37) CREBBPNPC1TP53RAB9ASMN1; SMN2
SCHEMBL4816506 0.69 HPGD (0.33) LMNASMN1; SMN2
SCHEMBL4598623 0.69 HPGD (0.33) LMNASMN1; SMN2
SCHEMBL4817139 0.69 GAA (0.34) CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP 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
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 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 (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 CREBBP 247/4885NPSR1 2921/4885HTR2C 3634/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP CREBBP 247/4885NPSR1 2921/4885HTR2C 3634/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP CREBBP 247/4885NPSR1 2921/4885HTR2C 3634/4885

“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.