SCHEMBL7631339

SCHEMBL7631339

CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](N)c1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.51
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
GPR119 Q8TDV5 4/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
NAE1 Q13564 1/20 0.43
UBA3 Q8TBC4 1/20 0.43
USP30 Q70CQ3 1/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
PDK2 Q15119 1/20 0.41
NAMPT P43490 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
SCHEMBL3292827 1.00 KDM1A (0.51) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL3292821 1.00 KDM1A (0.51) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL12084783 1.00 KDM1A (0.51) KDM1AHDAC1HDAC8HDAC6GPR119
Hydrochloric Acid SCHEMBL7629295 0.99 KDM1A (0.50) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL241680 0.91 KDM1A (0.48) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL241681 0.91 KDM1A (0.48) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL6394296 0.87 KDM1A (0.46) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL3752156 0.87 KDM1A (0.46) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL31096660 0.87 KDM1A (0.46) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL31693865 0.86 KDM1A (0.46) KDM1AHDAC1GPR119USP30NAMPT

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-6410548-B2 THERAPY FOR OBESITY, DIABETES, SEXUAL DISORDERS MERCK & CO., INC. 2002-06-25 US disclosed
US-20010029259-A1 Spiropiperidine derivatives as melanocortin receptor agonists MERCK SHARP & DOHME CORP. 2001-10-11 US disclosed
EP-1085869-A4 SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO INC (US) 2001-10-04 EP disclosed
US-6294534-B1 TREATMENT OF DISORDERS RESPONSIVE TO THE ACTIVATION OF MELANOCORTIN RECEPTORS, SUCH AS OBESITY, DIABETES OR MALE OR FEMALE SEXUAL DYSFUNCTION. MERCK & CO., INC. 2001-09-25 US disclosed
EP-1085869-A1 SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS Merck & Co., Inc. (US) 2001-03-28 EP disclosed
WO-1999064002-A1 SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO., INC. (US) 1999-12-16 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-20010029259-A1 Spiropiperidine derivatives as melanocortin receptor agonists MC5R, MC4R, MC3R KDM1A 3336/4885HDAC1 1899/4885HDAC8 2687/4885

“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.