SCHEMBL214425

SCHEMBL214425

Clc1ccc2c(c1)NCC21CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
HTR2C P28335 7/20 0.41
HTR2A P28223 3/20 0.41
HTR2B P41595 2/20 0.41
PKM P14618 1/20 0.39
DRD2 P14416 1/20 0.39
AVPR1A P37288 1/20 0.38
PDE7A Q13946 1/20 0.38
CMA1 P23946 1/20 0.38
AHR P35869 1/20 0.38
CHEK1 O14757 1/20 0.37
LIMK1 P53667 1/20 0.37
PNMT P11086 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
AKT1 P31749 1/20 0.34

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
SCHEMBL15812201 0.90 TNKS (0.49) TNKSTNKS2HTR2CHTR2APKM
SCHEMBL13387691 0.87 HTR2C (0.44) TNKSTNKS2HTR2CHTR2AHTR2B
SCHEMBL15811993 0.86 TNKS (0.50) TNKSTNKS2AVPR1APDE7ACMA1
SCHEMBL15812245 0.86 TNKS (0.50) TNKSTNKS2HTR2CHTR2AHTR2B
SCHEMBL26418980 0.80 PNMT (0.39) TNKSTNKS2HTR2CHTR2AHTR2B
SCHEMBL11090651 0.80 TNKS (0.51) TNKSTNKS2AVPR1ACMA1AHR
SCHEMBL1195633 0.76 TNKS (0.40) TNKSTNKS2PKMAVPR1A
SCHEMBL1195631 0.76 TNKS (0.40) TNKSTNKS2PKMAVPR1A
SCHEMBL13330233 0.76
SCHEMBL17160763 0.75 CMA1 (0.40) TNKSTNKS2HTR2CHTR2AAVPR1A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370423-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF Glaxo Group Limited (GB) 2011-10-05 EP claimed
US-20110230660-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF Method for Preparing a Spiroindoline 2011-09-22 US claimed
WO-2010065704-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO claimed
US-8563722-B2 Stereoselective hydrogenation of a ketone GLAXO GROUP LIMITED (GB) 2013-10-22 US disclosed
US-8563722-B2 Stereoselective hydrogenation of a ketone GLAXO GROUP LIMITED (GB) 2013-10-22 US disclosed
US-8431590-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2013-04-30 US disclosed
US-8431590-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2013-04-30 US disclosed
US-8431590-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2013-04-30 US disclosed
EP-2400844-A1 STEREOSELECTIVE HYDROGENATION OF A KETONE Glaxo Group Limited (GB) 2012-01-04 EP disclosed
US-20110306765-A1 STEREOSELECTIVE HYDROGENATION OF A KETONE GLAXO GROUP LIMITED (GB) 2011-12-15 US disclosed
US-20110306765-A1 STEREOSELECTIVE HYDROGENATION OF A KETONE GLAXO GROUP LIMITED (GB) 2011-12-15 US disclosed
US-7723350-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2010-05-25 US disclosed
US-7723350-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2010-05-25 US disclosed
US-7723350-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2010-05-25 US disclosed
EP-2166848-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS Glaxo Group Limited (GB) 2010-03-31 EP disclosed
US-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-25 US disclosed
US-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-25 US disclosed
US-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-25 US disclosed
WO-2008157741-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-24 WO disclosed
WO-2008157741-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-24 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-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR10, CXCR2 TNKS 4454/4885TNKS2 4488/4885HTR2C 961/4885
US-20110230660-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF CCR2, CXCR4, CXCR2 TNKS 3082/4885TNKS2 3678/4885HTR2C 339/4885
US-20110306765-A1 STEREOSELECTIVE HYDROGENATION OF A KETONE CCR2, CX3CR1, CCR1 TNKS 4276/4885TNKS2 4210/4885HTR2C 1014/4885

“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.