SCHEMBL4298771

SCHEMBL4298771

CCCCCC1CCCCN1C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
S1PR1 P21453 3/20 0.55
S1PR3 Q99500 3/20 0.55
S1PR5 Q9H228 3/20 0.55
CHRNB2 P17787 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
ADRA2A P08913 2/20 0.45
S1PR4 O95977 1/20 0.43
CHRM1 P11229 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL28111758 0.98 S1PR1 (0.57) CYP1A2S1PR1S1PR3S1PR5CHRNB2
SCHEMBL4419378 0.98 S1PR1 (0.57) CYP1A2S1PR1S1PR3S1PR5CHRNB2
SCHEMBL27551089 0.98 S1PR1 (0.57) CYP1A2S1PR1S1PR3S1PR5CHRNB2
SCHEMBL27287754 0.98 S1PR1 (0.57) CYP1A2S1PR1S1PR3S1PR5CHRNB2
SCHEMBL18531651 0.98 CYP1A2 (0.61) CYP1A2S1PR1S1PR3S1PR5CHRNB2
Bromide SCHEMBL28654872 0.96 S1PR1 (0.56) CYP1A2S1PR1S1PR3S1PR5CHRNB2
Bromide SCHEMBL31318389 0.94 S1PR1 (0.55) CYP1A2S1PR1S1PR3S1PR5CHRNB2
SCHEMBL15508580 0.94 CYP1A2 (0.60) CYP1A2S1PR1S1PR3S1PR5CHRNB2
SCHEMBL292866 0.94 S1PR1 (0.54) CYP1A2S1PR1S1PR3S1PR5CHRNB2
SCHEMBL14539275 0.92 S1PR1 (0.56) CYP1A2S1PR1S1PR3S1PR5CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027323-A Poly (aryl methyl piperidine) polymer, preparation method and anion exchange membrane 西湖大学 2024-05-14 CN claimed
CN-118027323-A Poly (aryl methyl piperidine) polymer, preparation method and anion exchange membrane 西湖大学 2024-05-14 CN disclosed
CN-112210230-A Dye dispersion composition for color filter and dye dispersion resist composition for color filter 阪田油墨股份有限公司 2021-01-12 CN disclosed
EP-1620400-B1 piperidinylmethylpiperidine derivatives and their use as chemokine modulators ASTRAZENECA AB (SE) 2012-12-05 EP disclosed
US-20090118513-A1 Chemical Compounds ASTRAZENECA AB (SE) 2009-05-07 US disclosed
US-7495013-B2 Chemical compounds ASTRAZENECA AB (SE) 2009-02-24 US disclosed
EP-1625114-B1 Piperidine derivatives for the the treatment of chemokine or H1 mediated diseases ASTRAZENECA AB (SE) 2008-08-27 EP disclosed
US-20070032523-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20060264463-A1 Chemical compounds MEDTECH CONVERGENCE FUND, L.P. 2006-11-23 US disclosed
CN-1768037-A Chemical compounds. ASTRAZENECA AB (SE) 2006-05-03 CN disclosed
EP-1620400-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2006-02-01 EP disclosed
WO-2004087659-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-14 WO disclosed
US-5760235-A DIPEPTIDES BASED ON PROLINE OR PIPECOLIC ACID AND ARGININE ALDEHYDE GYOGYSZERKUTATO INTEZET KFT. (HU) 1998-06-02 US disclosed
EP-0629212-B1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF GYOGYSZERKUTATO INTEZET (HU) 1997-10-08 EP disclosed
EP-0546583-B1 Piperazinyl-and piperidinyl-cyclohexanols BRISTOL MYERS SQUIBB CO (US) 1996-05-22 EP disclosed
EP-0629212-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF. GYOGYSZERKUTATO INTEZET (HU) 1994-12-21 EP disclosed
WO-1993018060-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF Gyógyszerkutató Intézet Kft. (HU) 1993-09-16 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 (3 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-20090118513-A1 Chemical Compounds CCR3, CCR1, CCR4 CYP1A2 714/4885S1PR1 78/4885S1PR3 63/4885
US-20070032523-A1 Chemical compounds CCR3, CCR1, CCR4 CYP1A2 787/4885S1PR1 63/4885S1PR3 56/4885
US-20060264463-A1 Chemical compounds CCR3, CCR1, CCR4 CYP1A2 680/4885S1PR1 74/4885S1PR3 65/4885

“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.