SCHEMBL14257578

SCHEMBL14257578

N#C/N=C(\Nc1cccc2ccccc12)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 3/20 0.42
SIGMAR1 Q99720 3/20 0.41
KMT2A Q03164 3/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL14257256 0.86 TRPV1 (0.47) TRPV1NPC1KDM4EMAPTKMT2A
SCHEMBL14267836 0.83 P2RX7 (0.50) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL14257461 0.83 P2RX7 (0.50) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL11244903 0.81 HPGD (0.41) TRPV1RAB9ANPC1KDM4EGAA
SCHEMBL11244909 0.81 HPGD (0.41) TRPV1RAB9ANPC1KDM4EGAA
SCHEMBL14257267 0.81 MAPK1 (0.46) TRPV1KMT2A
SCHEMBL14257580 0.80 NPC1 (0.46) RAB9ANPC1GAAKMT2AALDH1A1
SCHEMBL3644300 0.80 KMT2A (0.47) RAB9ANPC1CYP1A2CYP2C19KDM4E
SCHEMBL11174712 0.80 HDAC1 (0.41) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL14267810 0.80 KMT2A (0.39) CYP1A2SIGMAR1KMT2AGRIN2DGRIN3B

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-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 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 (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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 TRPV1 17/4885RAB9A 3303/4885NPC1 635/4885

“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.