SCHEMBL6153400

SCHEMBL6153400

O=C(/C=C/c1ccccc1Cl)N[C@H]1CN2CCC1CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MAPT P10636 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAOB P27338 1/20 0.51
CHRNA7 P36544 4/20 0.51
HTR3A P46098 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRM2 P08172 2/20 0.49
CHRM1 P11229 2/20 0.49

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
SCHEMBL6152388 1.00 NPC1 (0.58) NPC1RAB9AMAPTHDAC1HDAC8
SCHEMBL6153915 1.00 NPC1 (0.58) NPC1RAB9AMAPTHDAC1HDAC8
SCHEMBL6153428 1.00 NPC1 (0.58) NPC1RAB9AMAPTHDAC1HDAC8
SCHEMBL9411964 1.00 NPC1 (0.58) NPC1RAB9AMAPTHDAC1HDAC8
SCHEMBL5988428 1.00 NPC1 (0.58) NPC1RAB9AMAPTHDAC1HDAC8
SCHEMBL6153257 0.85 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL5986977 0.85 CHRNA7 (0.52) CHRNA7HTR3ACHRM2CHRM1CHRM3
SCHEMBL5987676 0.85 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL5987404 0.85 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL5987674 0.85 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3

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-1194414-B1 PROCESS FOR PREPARING 2-AMINO-4-(4-FLUORPHENYL)-6-ALKYLPYRIMIDINE-5-CARBOXYLATE LONZA AG (CH) 2005-10-19 EP claimed
EP-1233964-B1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-22 EP claimed
US-20040181065-A1 Process for preparing 2-amino-4-(4-fluorphenyl) -6-alkylpyrimidine-5-carboxylate VEITH ULRICH (CH) 2004-09-16 US claimed
US-20030199695-A1 Preparation of 4-(4-flourophenyl)-6-alkyl-2-N-alkansulfonyl-N-alkylamino)pyrimidine-5-carboxylic acid ester. VEITH ULRICH (CH) 2003-10-23 US claimed
EP-1233964-B1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
US-6683090-B1 N-(1-AZABICYCLO(2.2.2)OCT-3-YL)PROPENAMIDE DERIVATIVES; PSYCHOTIC AND INTELLECTUAL IMPAIRMENT DISORDERS ASTRAZENECA AB (SE) 2004-01-27 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 (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-20030199695-A1 Preparation of 4-(4-flourophenyl)-6-alkyl-2-N-alkansulfonyl-N-alkylamino)pyrimidine-5-carboxylic acid ester. PFAS, F7, AFF1 NPC1 2515/4885RAB9A 1362/4885MAPT 4818/4885
US-20040181065-A1 Process for preparing 2-amino-4-(4-fluorphenyl) -6-alkylpyrimidine-5-carboxylate ALKBH1, F7, CYP2B6 NPC1 4047/4885RAB9A 1010/4885MAPT 4848/4885

“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.