SCHEMBL7116236

SCHEMBL7116236

Cc1cccc(C)c1NC(=O)CN(C)CCN(C)CC(O)COc1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
RXFP1 Q9HBX9 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
POLB P06746 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7119899 0.81 RXFP1 (0.46) RXFP1KMT2AMEN1ALDH1A1HTT
SCHEMBL7117219 0.76 CYP3A4 (0.58) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL7119694 0.71 MEN1 (0.53) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL7807880 0.70 ALDH1A1 (0.50) MAPTRXFP1KMT2AMEN1ALDH1A1
SCHEMBL7800341 0.69 KMT2A (0.48) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL21264291 0.69 LMNA (0.65) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL29400896 0.68 MAPT (0.72) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7114559 0.68 TDP1 (0.49) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL29403088 0.68 MAPT (0.71) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL11674236 0.67 LMNA (0.61) MAPTKMT2AMEN1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6638970-B2 For protecting skeletal muscles against damage resulting from trauma or subsequent to muscle or systemic diseases such as intermittent claudication, for treating shock, cardiovascular disorders, for preserving donor tissue, organs in transplants CV THERAPEUTICS, INC. 2003-10-28 US disclosed
US-20010036961-A1 Substituted alkylene diamine compounds CV THERAPEUTICS, INC. 2001-11-01 US disclosed
WO-2001062711-A2 SUBSTITUTED ALKYLENE DIAMINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 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 (1 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-20010036961-A1 Substituted alkylene diamine compounds TNNC1, CPT1B, TNNI3 MAPT 4826/4885RXFP1 4396/4885KMT2A 3714/4885

“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.