SCHEMBL5639072

SCHEMBL5639072

NNC(=O)CSCCOc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.61
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ RECQL P46063 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MTNR1A P48039 1/20 0.44

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
Hydrochloric Acid SCHEMBL5639907 0.98 PKM (0.60) PKMMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3266534 0.82 PKM (0.57) PKMMEN1KMT2AALDH1A1KDM4E
SCHEMBL5638148 0.79 PKM (0.55) PKMMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4412374 0.78 CYP1A2 (0.67) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL5640214 0.77 PKM (0.51) PKMMEN1KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7190843 0.77 CYP1A2 (0.65) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL3267877 0.77 HDAC1 (0.63) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL5638767 0.76 PKM (0.53) PKMMEN1KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5639911 0.76 HDAC1 (0.61) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL8671561 0.75 KCNA3 (0.64) ALDH1A1HDAC1HDAC2NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 — — US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 — — US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 — — EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 — — 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R PKM 1481/4885MEN1 494/4885KMT2A 2662/4885

“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.

Send feedback