SCHEMBL249054

SCHEMBL249054

C=CCN(CC=C)c1ccc2cccc(OCCCCC)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 7/20 0.45
▸ HTR1D P28221 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MCHR1 Q99705 2/20 0.42
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TLR8 Q9NR97 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SLC6A4 P31645 1/20 0.39
▸ KCNA3 P22001 1/20 0.39

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
SCHEMBL249239 0.81 CNR2 (0.67) KDM4EALDH1A1HPGDATMCNR1
Propene SCHEMBL27922215 0.74 HTR1B (0.48) HTR1BHTR1DMCHR1CNR1CNR2
SCHEMBL12968139 0.73 HTR1B (0.52) HTR1BHTR1DMCHR1CNR1CNR2
SCHEMBL250503 0.72 HTR1B (0.71) HTR1BHTR1DCNR1CNR2CYP2C9
SCHEMBL249237 0.72 CTDSP1 (0.45) KDM4EALDH1A1HPGDATM
SCHEMBL10604096 0.71 KCNA3 (0.54) HTR1BHTR1DMCHR1CNR1CNR2
Ethylene SCHEMBL28816215 0.71 HTR1B (0.66) HTR1BHTR1DCNR1CNR2CYP2C9
SCHEMBL9421991 0.71 KCNA3 (0.54) HTR1BHTR1DMCHR1CNR1CNR2
SCHEMBL10589534 0.71 HTR1B (0.69) HTR1BHTR1DCNR1CNR2CYP2C9
SCHEMBL18551586 0.71 HTR1B (0.69) HTR1BHTR1DCNR1CNR2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 — — EP disclosed
EP-2338886-A2 Naphthalene derivatives Novartis AG (CH) 2011-06-29 — — EP disclosed
US-7045533-B2 Such as naphthalen-1-yl-(4-pentyloxy-naphthalen-1-yl)-mehtane for treatment/prevention of diseases/conditions associated with cannobinoid receptor activation such as chronic pain, osteo- and rheumatoid arthritis, teno-synovitis and gout NOVARTIS AG (CH) 2006-05-16 — — US disclosed
CN-1224598-C Naphthalene derivatives NOVARTIS AG (CH) 2005-10-26 — — CN disclosed
US-20040053890-A1 Naphthalene derivatives NOVARTIS AG (CH) 2004-03-18 — — US disclosed
CN-1476424-A Naphthalene derivatives ��˹��ŵ�� 2004-02-18 — — CN disclosed
EP-1339663-A2 NAPHTHALENE DERIVATIVES Novartis AG (CH) 2003-09-03 — — EP disclosed
WO-2002042248-A2 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2002-05-30 — — WO 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-20040053890-A1 Naphthalene derivatives CYP1A1, SULT1E1, CYP2F1 HTR1B 914/4885HTR1D 423/4885KDM4E 3981/4885

“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.

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