SCHEMBL515948

SCHEMBL515948

CCN(CC)C(=O)[C@@H]1CC[C@@H]1C(N)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
OPRM1 P35372 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
OPRD1 P41143 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP17A1 P05093 3/20 0.37
CYP19A1 P11511 3/20 0.37
GPR88 Q9GZN0 1/20 0.37

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
SCHEMBL516132 0.85 CYP3A4 (0.52) CYP3A4CYP2D6TSHROPRD1SMN1; SMN2
SCHEMBL516778 0.80 HPGD (0.42) CYP3A4ALDH1A1CYP2D6TSHRCYP1A2
SCHEMBL516110 0.79 OPRM1 (0.43) ALDH1A1OPRM1OPRD1
SCHEMBL515694 0.79 ALDH1A1 (0.43) SLC6A2SLC6A4CYP3A4ALDH1A1CYP2D6
SCHEMBL516182 0.77 L3MBTL1 (0.43) CYP3A4CYP2D6TSHROPRM1OPRD1
SCHEMBL14760360 0.77 CYP3A4 (0.58) CYP3A4CYP2D6TSHROPRD1SMN1; SMN2
SCHEMBL515952 0.76 POLB (0.43) SLC6A2SLC6A4CYP3A4CYP2D6TSHR
SCHEMBL516137 0.76 GPR88 (0.39) CYP3A4CYP2D6TSHRCYP1A2MAPK1
SCHEMBL516758 0.76 SLC6A2 (0.39) SLC6A2SLC6A4CYP3A4ALDH1A1CYP2D6
SCHEMBL516121 0.75 KDM4E (0.42) CYP3A4CYP2D6TSHRLMNACYP1A2

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 SLC6A2 3043/4885SLC6A4 3870/4885CYP3A4 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.