SCHEMBL7119899

SCHEMBL7119899

Cc1cccc(C)c1NC(=O)CN(C)CCCN(C)CC(O)Cc1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7807880 0.84 ALDH1A1 (0.50) RXFP1ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL7114559 0.82 TDP1 (0.49) ALDH1A1CYP3A4CYP2C9MEN1KMT2A
SCHEMBL7116236 0.81 MAPT (0.51) RXFP1ALDH1A1MEN1KMT2AHTT
SCHEMBL6280646 0.75 CYP3A4 (0.53) RXFP1ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL7800341 0.72 KMT2A (0.48) ALDH1A1CYP3A4MEN1KMT2AHTT
SCHEMBL7119694 0.71 MEN1 (0.53) ALDH1A1CYP3A4CYP2D6L3MBTL1MEN1
SCHEMBL11674236 0.69 LMNA (0.61) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL7114567 0.69 TDP1 (0.46) ALDH1A1CYP3A4CYP2C9MEN1KMT2A
SCHEMBL21264291 0.69 LMNA (0.65) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6281817 0.69 SMN1; SMN2 (0.45) RXFP1ALDH1A1CYP3A4CYP1A2CYP2D6

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 claimed
US-20010036961-A1 Substituted alkylene diamine compounds CV THERAPEUTICS, INC. 2001-11-01 US claimed
US-20010036961-A1 Substituted alkylene diamine compounds CV THERAPEUTICS, INC. 2001-11-01 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 (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 RXFP1 4396/4885ALDH1A1 37/4885CYP3A4 3951/4885

“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.