SCHEMBL12772408

SCHEMBL12772408

CC(C)(C)CN1CCC(C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.35
DRD3 P35462 5/20 0.32
KCNH2 Q12809 5/20 0.32
DRD2 P14416 4/20 0.32
CHRM4 P08173 1/20 0.32
CYP3A4 P08684 2/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
OPRM1 P35372 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
SCHEMBL4762461 0.82 HSD11B1 (0.37) KCNH2
SCHEMBL23434542 0.80 CYP3A4 (0.33) CHRM4CYP3A4UBE2MDCUN1D1OPRM1
SCHEMBL22006210 0.80 LTA4H (0.37) CHRM4CYP3A4UBE2MDCUN1D1OPRM1
SCHEMBL9924112 0.79 CHRM4 (0.31) CHRM4UBE2MDCUN1D1
SCHEMBL22624169 0.79 TERT (0.32) TERT
SCHEMBL22006211 0.78 ALDH1A1 (0.39)
SCHEMBL13212683 0.78 LTA4H (0.36) CYP3A4
SCHEMBL5184021 0.77 SMN1; SMN2 (0.42) TERTDRD3KCNH2DRD2UBE2M
SCHEMBL5184024 0.77 SMN1; SMN2 (0.42) TERTDRD3KCNH2DRD2UBE2M
SCHEMBL12665789 0.76 HTR7 (0.44)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
US-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2015-03-05 US disclosed
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US disclosed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide BAYER CROPSCIENCE AG (DE) 2008-11-27 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 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 (5 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-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide AZI2, NISCH, ZYX TERT 1134/4885DRD3 923/4885KCNH2 885/4885
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 TERT 4836/4885DRD3 322/4885KCNH2 3123/4885
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 TERT 4413/4885DRD3 1057/4885KCNH2 1761/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 TERT 4424/4885DRD3 4122/4885KCNH2 1935/4885
US-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 TERT 1088/4885DRD3 2495/4885KCNH2 1027/4885

“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.