SCHEMBL515942

SCHEMBL515942

NC(=O)C1(C2CCc3ccccc3N2)CCC1C(N)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.36
MTNR1A P48039 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PTK2B Q14289 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.32
MASP2 O00187 1/20 0.32
F2 P00734 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DPP4 P27487 1/20 0.30
HTR1A P08908 2/20 0.30
HTR2A P28223 2/20 0.30
DRD3 P35462 2/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL515941 1.00 SMYD3 (0.36) SMYD3MTNR1AGAAMAPTPTK2B
SCHEMBL516721 0.89 HTR1A (0.35) SMYD3MTNR1APTK2BMASP2F2
SCHEMBL516119 0.89 OPRM1 (0.35) SMYD3MTNR1APTK2BTRPM8DPP4
SCHEMBL516720 0.89 HTR1A (0.35) SMYD3MTNR1APTK2BMASP2F2
SCHEMBL515959 0.89 OPRM1 (0.35) SMYD3TRPM8
SCHEMBL516120 0.89 OPRM1 (0.35) SMYD3MTNR1APTK2BTRPM8DPP4
SCHEMBL515960 0.89 OPRM1 (0.35) SMYD3TRPM8
SCHEMBL515725 0.86 RIPK1 (0.35) SMYD3PTK2BDPP4EPHX1
SCHEMBL515724 0.86 RIPK1 (0.35) SMYD3PTK2BDPP4EPHX1
SCHEMBL14760423 0.72 MTNR1A (0.35) SMYD3MTNR1AGAAMAPTPTK2B

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 SMYD3 4287/4885MTNR1A 1292/4885GAA 3350/4885

“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.