SCHEMBL3175361

SCHEMBL3175361

Cc1csc2c(=O)n(-c3ccc(Cl)cc3)c([C@H]3CC[C@@H](C(F)(F)F)CC3)nc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
DRD1 P21728 3/20 0.38
DRD5 P21918 3/20 0.38
GRM1 Q13255 5/20 0.35
PDE4B Q07343 1/20 0.35
PDE7A Q13946 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
AVPR1A P37288 1/20 0.33
BRD4 O60885 2/20 0.33
BRD2 P25440 2/20 0.33
BRD3 Q15059 2/20 0.33
CREBBP Q92793 2/20 0.33
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL3175372 1.00 POLB (0.39) POLBDRD1DRD5GRM1PDE4B
SCHEMBL3178928 0.91 KDM4E (0.36) POLBDRD1DRD5GRM1PDE4B
SCHEMBL3178920 0.91 KDM4E (0.36) POLBDRD1DRD5GRM1PDE4B
SCHEMBL3169324 0.89 PDE4B (0.33) PDE4BPDE7ASMN1; SMN2
SCHEMBL3169334 0.89 PDE4B (0.33) PDE4BPDE7ASMN1; SMN2
SCHEMBL13660351 0.81 SMN1; SMN2 (0.34) POLBGRM1PDE4BPDE7ASMN1; SMN2
SCHEMBL4911234 0.81 DRD1 (0.42) POLBDRD1DRD5GRM1SMN1; SMN2
SCHEMBL4755753 0.80 DRD1 (0.41) POLBDRD1DRD5GRM1SMN1; SMN2
SCHEMBL4755752 0.80 DRD1 (0.41) POLBDRD1DRD5GRM1SMN1; SMN2
SCHEMBL13985295 0.79 DRD1 (0.41) POLBDRD1DRD5GRM1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US claimed
EP-2094704-A2 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES Neurogen Corporation (US) 2009-09-02 EP claimed
WO-2008066664-A2 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2008-06-05 WO claimed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US disclosed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 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-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES PIGS, GPR174, GPR17 POLB 2868/4885DRD1 1469/4885DRD5 1301/4885

“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.