SCHEMBL516778

SCHEMBL516778

CCN(CC)C(=O)[C@@H]1CC[C@@H]1C(N)c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR88 Q9GZN0 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CCR5 P51681 1/20 0.34
AOC3 Q16853 1/20 0.33

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
SCHEMBL515694 0.87 ALDH1A1 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL516110 0.87 OPRM1 (0.43) HPGDALDH1A1
SCHEMBL516132 0.86 CYP3A4 (0.52) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL516182 0.85 L3MBTL1 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL516137 0.84 GPR88 (0.39) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL515952 0.82 POLB (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL516121 0.81 KDM4E (0.42) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL515699 0.81 SLC6A3 (0.40) TSHRALDH1A1
SCHEMBL515948 0.80 SLC6A2 (0.41) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL515672 0.78 KDM4E (0.44) HPGDTDP1CYP3A4MEN1KMT2A

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-8455550-B2 Derivatives of aminocyclobutane or aminocyclobutene, their method of preparation and their use as medical products PIERRE FABRE MEDICAMENT (FR) 2013-06-04 US claimed
EP-2414323-B1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PF MEDICAMENT (FR) 2013-03-13 EP claimed
US-20120029013-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PIERRE FABRE MEDICAMENT (FR) 2012-02-02 US claimed
US-8455550-B2 Derivatives of aminocyclobutane or aminocyclobutene, their method of preparation and their use as medical products PIERRE FABRE MEDICAMENT (FR) 2013-06-04 US disclosed
EP-2414323-B1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PF MEDICAMENT (FR) 2013-03-13 EP disclosed
US-20120029013-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PIERRE FABRE MEDICAMENT (FR) 2012-02-02 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-20120029013-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS CYP11B2, BCAT1, CYP11B1 HPGD 966/4885TDP1 4828/4885CYP3A4 227/4885

“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.