SCHEMBL6227645

SCHEMBL6227645

CC1=C(C)C(c2ccccc2C)NCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.46
PRCP P42785 7/20 0.44
GAA P10253 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GID4 Q8IVV7 1/20 0.37
RECQL P46063 1/20 0.37
KDM1A O60341 1/20 0.36

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
SCHEMBL6229660 0.78 PRCP (0.65) HTR2CPRCPGAAGID4RECQL
SCHEMBL6229072 0.78 PRCP (0.65) HTR2CPRCPGAAGID4RECQL
SCHEMBL4344858 0.73 GID4 (0.60) HTR2CPRCPGAADDB1CRBN
SCHEMBL12761059 0.70 PRCP (0.44) HTR2CPRCPGAAGID4RECQL
SCHEMBL27634687 0.70 HTR2C (0.53) HTR2CPRCPDDB1CRBNALDH1A1
SCHEMBL10508976 0.69 DDB1 (0.45) HTR2CPRCPDDB1CRBNALDH1A1
SCHEMBL11713664 0.68 KMT2A (0.73) GAAALDH1A1
SCHEMBL22423680 0.68 HTR2C (0.57) HTR2CPRCPDDB1CRBNALDH1A1
SCHEMBL6228788 0.68 DDB1 (0.44) HTR2CDDB1CRBNALDH1A1
SCHEMBL13189805 0.67 HTR2C (0.50) HTR2CDDB1CRBNALDH1A1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487798-A4 SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2005-07-13 EP disclosed
US-6916830-B2 Substituted tetrahydroisoquinolines as C5a receptor modulators NEUROGEN CORPORATION (US) 2005-07-12 US disclosed
EP-1487798-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-22 EP disclosed
US-20040204446-A1 Nitrogen compounds such as N-(2-Fluoro-benzyl)-N-indan-2-yl-2-(3-methyl-2-o-tolyl-piperidin-1-yl) -acetamide, administered for prophylaxis arthritis, psoriasis, cardiovascular disorders, reperfusion injury or respiratory system disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-10-14 US disclosed
US-6777422-B2 FOR TREATING A VARIETY OF INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NEUROGEN CORP. 2004-08-17 US disclosed
US-20040006069-A1 Substituted tetrahydroisoquinolines as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-08 US disclosed
WO-2003082828-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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 (2 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-20040006069-A1 Substituted tetrahydroisoquinolines as C5a receptor modulators C5AR1, C3AR1, C5AR2 HTR2C 142/4885PRCP 600/4885GAA 4731/4885
US-20040204446-A1 Nitrogen compounds such as N-(2-Fluoro-benzyl)-N-indan-2-yl-2-(3-methyl-2-o-tolyl-piperidin-1-yl) -acetamide, administered for prophylaxis arthritis, psoriasis, cardiovascular disorders, reperfusion injury or respiratory system disorders C5AR1, C3AR1, C5AR2 HTR2C 226/4885PRCP 2373/4885GAA 4746/4885

“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.