SCHEMBL516720

SCHEMBL516720

Cc1cccc(C(N)[C@H]2CC[C@]2(C(N)=O)[C@H]2CCc3ccccc3N2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
DRD3 P35462 2/20 0.35
DRD2 P14416 1/20 0.35
RIPK1 Q13546 1/20 0.33
MTNR1A P48039 2/20 0.33
SMYD3 Q9H7B4 1/20 0.32
MASP2 O00187 1/20 0.31
F2 P00734 1/20 0.31
PTK2B Q14289 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
SCHEMBL516721 1.00 HTR1A (0.35) HTR1AHTR2AHTR2CDRD3DRD2
SCHEMBL515942 0.89 SMYD3 (0.36) HTR1AHTR2ADRD3MTNR1ASMYD3
SCHEMBL515941 0.89 SMYD3 (0.36) HTR1AHTR2ADRD3MTNR1ASMYD3
SCHEMBL516120 0.89 OPRM1 (0.35) RIPK1MTNR1ASMYD3PTK2B
SCHEMBL516119 0.89 OPRM1 (0.35) RIPK1MTNR1ASMYD3PTK2B
SCHEMBL515959 0.89 OPRM1 (0.35) RIPK1SMYD3
SCHEMBL515960 0.89 OPRM1 (0.35) RIPK1SMYD3
SCHEMBL515725 0.86 RIPK1 (0.35) RIPK1SMYD3PTK2B
SCHEMBL515724 0.86 RIPK1 (0.35) RIPK1SMYD3PTK2B
SCHEMBL534419 0.71 SMYD3 (0.39) HTR1AHTR2AHTR2CDRD3DRD2

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 HTR1A 1355/4885HTR2A 2224/4885HTR2C 1531/4885

“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.