SCHEMBL4601314

SCHEMBL4601314

NC1(C(=O)O)CCc2c(Br)cccc2C1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.36
ABHD6 Q9BV23 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LDHA P00338 1/20 0.32
TRAP1 Q12931 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
SCHEMBL7911048 0.88 ABHD6 (0.34) AKR1C3ABHD6MEN1KMT2ALDHA
Hydrochloric Acid SCHEMBL5835891 0.87 HTR1A (0.36) AKR1C3ABHD6MEN1KMT2A
SCHEMBL7913031 0.84 ABHD6 (0.37) ABHD6MEN1KMT2A
SCHEMBL7932404 0.84 ABHD6 (0.37) ABHD6MEN1KMT2A
SCHEMBL7921822 0.84 ABHD6 (0.37) ABHD6MEN1KMT2A
SCHEMBL7913250 0.83 MEN1 (0.35) AKR1C3ABHD6MEN1KMT2A
SCHEMBL4599719 0.82 CXCR5 (0.36)
SCHEMBL4599994 0.82 GRM2 (0.39) AKR1C3
SCHEMBL7909350 0.80 ACACB (0.36) ABHD6MEN1KMT2A
SCHEMBL4600677 0.79 GABRA1 (0.37) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100491396-C Selective cyclic peptides HOFFMANN LA ROCHE (CH) 2009-05-27 CN disclosed
US-20080177036-A1 Selective Linear Peptides with Melanocortin-4 Receptor (MC4-R) Agonist Activity CHEN LI 2008-07-24 US disclosed
US-20080177036-A1 Selective Linear Peptides with Melanocortin-4 Receptor (MC4-R) Agonist Activity CHEN LI 2008-07-24 US disclosed
US-20080177036-A1 Selective Linear Peptides with Melanocortin-4 Receptor (MC4-R) Agonist Activity CHEN LI 2008-07-24 US disclosed
EP-1272516-B1 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2008-04-23 EP disclosed
EP-1272516-B1 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2008-04-23 EP disclosed
EP-1315750-B1 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2007-02-14 EP disclosed
US-7045591-B2 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity HOFFMANN-LA ROCHE INC. (US) 2006-05-16 US disclosed
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity CHEN LI 2005-10-27 US disclosed
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity CHEN LI (US) 2003-12-11 US disclosed
US-6600015-B2 Treatment or prevention of obesity. HOFFMANN-LA ROCHE INC. 2003-07-29 US disclosed
EP-1315750-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
EP-1272516-A2 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-01-08 EP disclosed
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity CHEN LI (US) 2002-10-03 US disclosed
WO-2002018437-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity HOFFMANN-LA ROCHE INC. 2001-12-27 US disclosed
WO-2001074844-A2 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2001-10-11 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 (5 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-20080177036-A1 Selective Linear Peptides with Melanocortin-4 Receptor (MC4-R) Agonist Activity MC4R, MC3R, MC1R AKR1C3 2869/4885ABHD6 2810/4885MEN1 552/4885
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R AKR1C3 2402/4885ABHD6 1015/4885MEN1 637/4885
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R AKR1C3 2869/4885ABHD6 2810/4885MEN1 552/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R AKR1C3 3253/4885ABHD6 4512/4885MEN1 410/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R AKR1C3 2943/4885ABHD6 2973/4885MEN1 519/4885

“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.