SCHEMBL2306880

SCHEMBL2306880

CC1[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2)CN1c1ccc(=O)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
AKR1B1 P15121 1/20 0.32

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
SCHEMBL733746 0.85 SMO (0.33) HRH3
SCHEMBL2304480 0.81 P2RX7 (0.38) NOTUMMEN1KMT2ACYP1A2CYP3A4
SCHEMBL2307075 0.81 LMNA (0.45) NOTUMMEN1KMT2A
SCHEMBL2307114 0.80 BRD4 (0.42) NOTUMHRH3MEN1KMT2A
SCHEMBL2309105 0.76 CYP1A2 (0.46) HRH3MEN1KMT2ACYP1A2CYP3A4
SCHEMBL2310075 0.72 SLC6A4 (0.33)
SCHEMBL2306878 0.70 MEN1 (0.42) MEN1KMT2A
SCHEMBL1920336 0.67 SLC6A4 (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL1945899 0.66 PDE10A (0.34) HRH3
SCHEMBL731968 0.66 LMNA (0.42) NOTUMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039622-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2011-10-18 US disclosed
US-20110245500-A1 MELANOCORTIN RECEPTOR AGONISTS LG CHEM, LTD. (KR) 2011-10-06 US disclosed
US-20110237795-A1 MELANOCORTIN RECEPTOR AGONISTS LG CHEM, LTD. (KR) 2011-09-29 US disclosed
US-20110224219-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2011-09-15 US disclosed
EP-2350060-A2 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd (KR) 2011-08-03 EP disclosed
US-20100120783-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCE LTD. (KR) 2010-05-13 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 (4 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-20110237795-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R NOTUM 3949/4885HRH3 304/4885MEN1 899/4885
US-20110245500-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R NOTUM 3949/4885HRH3 304/4885MEN1 899/4885
US-20100120783-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R NOTUM 3949/4885HRH3 304/4885MEN1 899/4885
US-20110224219-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R NOTUM 3949/4885HRH3 304/4885MEN1 899/4885

“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.