SCHEMBL516137

SCHEMBL516137

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.39
EPHX1 P07099 1/20 0.38
GRM4 Q14833 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
S1PR1 P21453 2/20 0.37
KMT2A Q03164 1/20 0.37
TNF P01375 1/20 0.36
MGLL Q99685 2/20 0.36
CCR5 P51681 2/20 0.36
TSHR P16473 2/20 0.36
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL516778 0.84 HPGD (0.42) GPR88KMT2ACCR5TSHRCYP2D6
SCHEMBL516110 0.83 OPRM1 (0.43) OPRK1
SCHEMBL515694 0.83 ALDH1A1 (0.43) TSHRCYP2D6CYP3A4CYP1A2MAPK1
SCHEMBL516132 0.82 CYP3A4 (0.52) GPR88KMT2ATSHRCYP2D6CYP3A4
SCHEMBL516182 0.81 L3MBTL1 (0.43) TSHRCYP2D6CYP3A4CYP1A2MAPK1
SCHEMBL515952 0.78 POLB (0.43) GPR88TSHRCYP2D6CYP3A4CYP1A2
SCHEMBL515702 0.77 TRPM8 (0.35) TRPM8KMT2ADPP4FAPDPP8
SCHEMBL516121 0.77 KDM4E (0.42) GPR88KMT2ACCR5TSHRDPP4
SCHEMBL515699 0.77 SLC6A3 (0.40) TSHR
SCHEMBL515948 0.76 SLC6A2 (0.41) GPR88KMT2ATSHRCYP2D6CYP3A4

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 GPR88 442/4885EPHX1 2497/4885GRM4 3717/4885

“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.