SCHEMBL4558460

SCHEMBL4558460

c1ccc(N(Cc2cccnc2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.58
CHRNA4 P43681 2/20 0.58
GAA P10253 2/20 0.50
TSHR P16473 1/20 0.50
GRM2 Q14416 4/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
LTA4H P09960 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRL1 P41146 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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
SCHEMBL29899120 1.00 CHRNB2 (0.58) CHRNB2CHRNA4GAATSHRGRM2
SCHEMBL18590701 0.91 GAA (0.53) CHRNB2CHRNA4GAATSHRGRM2
SCHEMBL10957289 0.81 CHRNB2 (0.43) CHRNB2CHRNA4GAATSHRGRM2
SCHEMBL18590698 0.80 KCNA3 (0.49) GAATSHRKMT2AMAPTOPRM1
SCHEMBL22289326 0.79 GAA (0.73) CHRNB2CHRNA4GAATSHRGRM2
SCHEMBL1157700 0.79 PDE4B (0.44) CHRNB2CHRNA4GRM2CYP1A2CYP2D6
SCHEMBL1157560 0.79 PDE4A (0.49) CHRNB2CHRNA4KMT2AMAPTMAPK1
SCHEMBL918512 0.79 NR3C2 (0.56) TSHRTAAR1CYP2C19
SCHEMBL16606314 0.77 CHRNB2 (0.69) CHRNB2CHRNA4NAPRTCYP1A2CYP2D6
SCHEMBL18590700 0.77 TAAR1 (0.54) CHRNB2CHRNA4GAATSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO claimed
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO disclosed
US-7405230-B2 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-29 US disclosed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 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-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A CHRNB2 1293/4885CHRNA4 261/4885GAA 770/4885

“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.