SCHEMBL597482

SCHEMBL597482

NCCN1CCC(C(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
PRMT3 O60678 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT1 Q99873 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
DRD3 P35462 9/20 0.37
KCNH2 Q12809 8/20 0.37
DRD2 P14416 8/20 0.37
GNAI3 P08754 2/20 0.36
GNAO1 P09471 2/20 0.36
GNAI1 P63096 2/20 0.36
DRD4 P21917 2/20 0.34
SIGMAR1 Q99720 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL2209216 0.88 KEAP1 (0.45) ALOX15DRD3KCNH2DRD2GNAI3
SCHEMBL1473088 0.78 KMT2A (0.46) DRD3KCNH2DRD2DRD4
SCHEMBL3318265 0.78 ALOX15 (0.50) ALOX15PRMT3CARM1PRMT6PRMT1
SCHEMBL5069748 0.78 DRD3 (0.42) DRD3KCNH2DRD2DRD4
SCHEMBL4182146 0.78 DRD3 (0.37) DRD3KCNH2DRD2DRD4
SCHEMBL25436244 0.78 DRD2 (0.44) DRD3KCNH2DRD2GNAI3GNAO1
Hydrochloric Acid SCHEMBL4357773 0.77 DRD3 (0.39) DRD3KCNH2DRD2DRD4
SCHEMBL508627 0.77 ALOX15 (0.60) ALOX15PRMT3CARM1PRMT6PRMT1
SCHEMBL7583689 0.74 HSD11B1 (0.37)
SCHEMBL23078949 0.74 ALOX15 (0.44) ALOX15PRMT3CARM1PRMT6PRMT1

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
EP-2445877-B1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS INC (US) 2014-07-23 EP disclosed
EP-2445877-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Nanotherapeutics, Inc. (US) 2012-05-02 EP disclosed
US-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same NANOTHERAPEUTICS, INC. 2012-04-12 US disclosed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 US disclosed
WO-2010065743-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS, INC. (US) 2010-06-10 WO 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 (2 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-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same HTR2C, HTR3A, HTR3C ALOX15 549/4885PRMT3 1348/4885CARM1 1972/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C ALOX15 549/4885PRMT3 1348/4885CARM1 1972/4885

“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.