SCHEMBL1194976

SCHEMBL1194976

N#CC1(c2ccc(Cl)cc2F)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.39
HTR2A P28223 3/20 0.39
HTR2B P41595 2/20 0.39
DRD2 P14416 1/20 0.37
OPRM1 P35372 1/20 0.35
PKM P14618 1/20 0.35
PNMT P11086 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSL P07711 2/20 0.32
TRPM5 Q9NZQ8 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
KDM1A O60341 1/20 0.32
CTSS P25774 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
Hydrochloric Acid SCHEMBL2780103 0.98 HTR2C (0.38) HTR2CHTR2AHTR2BDRD2OPRM1
SCHEMBL28691096 0.89 OPRM1 (0.39) OPRM1HDAC6CTSLPROKR1KDM1A
SCHEMBL6962020 0.86 HTR2C (0.40) HTR2CHTR2AHTR2BDRD2OPRM1
SCHEMBL7532775 0.84 HTR2C (0.37) HTR2CHTR2AHDAC6
SCHEMBL30596331 0.84 HTR2C (0.37) HTR2CHTR2AHDAC6
Hydrochloric Acid SCHEMBL29995070 0.83 HTR2C (0.36) HTR2CHDAC6
Hydrochloric Acid SCHEMBL7874218 0.83 HTR2C (0.36) HTR2CHDAC6
SCHEMBL17543073 0.80 PSEN1 (0.42) OPRM1HDAC6CTSLPROKR1CTSS
SCHEMBL29087329 0.79 HTR2C (0.36) HTR2CKDM1A
SCHEMBL17543855 0.79 BACE1 (0.36) HTR2CHTR2AHTR2BOPRM1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102239158-A Method for preparing a spiroindoline and a precursor thereof GLAXO GROUP LTD 2011-11-09 CN claimed
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-8431590-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2013-04-30 US disclosed
US-20110034499-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2011-02-10 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
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 HTR2C 961/4885HTR2A 572/4885HTR2B 805/4885
US-20110034499-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR10, CXCR2 HTR2C 961/4885HTR2A 572/4885HTR2B 805/4885
US-20110230660-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF CCR2, CXCR4, CXCR2 HTR2C 339/4885HTR2A 616/4885HTR2B 476/4885

“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.