SCHEMBL2072095

SCHEMBL2072095

COCc1cc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
GABRA5 P31644 2/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
PKM P14618 1/20 0.44
USP30 Q70CQ3 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
HTR7 P34969 1/20 0.43
METTL3 Q86U44 1/20 0.42
SMO Q99835 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL2073525 0.89 HPGDS (0.53) HPGDSSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL2070763 0.82 HPGDS (0.62) HPGDSSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL2070459 0.81 HPGDS (0.64) HPGDSGABRA5DRD2DRD4USP30
SCHEMBL2071033 0.80 HPGDS (0.58) HPGDSALDH1A1GABRA5USP30CKS1B
SCHEMBL2070824 0.80 HPGDS (0.67) HPGDSUSP30CKS1BSKP1SKP2
SCHEMBL2072731 0.79 HPGDS (0.61) HPGDSSMN1; SMN2ALDH1A1GABRA5USP30
SCHEMBL2071695 0.79 HPGDS (0.61) HPGDSALDH1A1GABRA5USP30METTL3
SCHEMBL2069969 0.79 HPGDS (0.61) HPGDSGABRA5USP30CKS1BSKP1
SCHEMBL2073448 0.79 HPGDS (0.61) HPGDSGABRA5USP30CKS1BSKP1
SCHEMBL13610005 0.78 HPGDS (0.75) HPGDSALDH1A1DRD2DRD4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HPGDS 984/4885SMN1; SMN2 1371/4885ALDH1A1 148/4885

“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.