SCHEMBL9967718

SCHEMBL9967718

CC(C)CCCN1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.55
HTR1A P08908 3/20 0.55
HTR2A P28223 3/20 0.55
DRD3 P35462 3/20 0.55
DRD1 P21728 1/20 0.55
DRD5 P21918 1/20 0.55
HTR7 P34969 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
CCR2 P41597 1/20 0.46
MCHR1 Q99705 1/20 0.46

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
SCHEMBL8011291 0.86 DRD2 (0.65) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8001944 0.86 DRD2 (0.65) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL9967731 0.85 DRD2 (0.68) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL9967721 0.85 PRCP (0.48) DRD2SIGMAR1
SCHEMBL9967730 0.85 DRD2 (0.64) DRD2SIGMAR1
SCHEMBL8001978 0.84 DRD2 (0.63) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8571166 0.83 DRD2 (0.59) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL11932474 0.83 DRD2 (0.68) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8012789 0.82 DRD2 (0.60) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL256669 0.82 DRD2 (0.58) DRD2HTR1AHTR2ADRD3DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447122-B2 Arginase inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2016-09-20 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-8894970-B2 Arginase inhibitors and methods of use thereof CORRIDOR PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20120171116-A1 Arginase Inhibitors and Methods of Use Thereof CORRIDOR PHARMACEUTICALS, INC. 2012-07-05 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 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 (3 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-20120171116-A1 Arginase Inhibitors and Methods of Use Thereof ARG1, ARG2, PRMT1 DRD2 4451/4885HTR1A 3657/4885HTR2A 3933/4885
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD DRD2 1749/4885HTR1A 3423/4885HTR2A 4130/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD DRD2 1749/4885HTR1A 3423/4885HTR2A 4130/4885

“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.