SCHEMBL6206852

SCHEMBL6206852

Fc1cccc(F)c1C1NCCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.61
GAA P10253 1/20 0.57
RECQL P46063 1/20 0.53
GID4 Q8IVV7 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
OPRM1 P35372 1/20 0.46
MAPT P10636 2/20 0.46
SLC22A1 O15245 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAOA P21397 1/20 0.43

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
SCHEMBL29924130 0.86 PRCP (0.61) PRCPGAARECQLGID4MEN1
SCHEMBL23274866 0.86 PRCP (0.61) PRCPGAARECQLGID4MEN1
SCHEMBL27928028 0.86 PRCP (0.65) PRCPGAARECQLGID4MEN1
SCHEMBL30444018 0.79 PRCP (0.65) PRCPGAARECQLGID4MEN1
SCHEMBL21063708 0.79 PRCP (0.65) PRCPGAARECQLGID4MEN1
SCHEMBL21063727 0.79 PRCP (0.65) PRCPGAARECQLGID4MEN1
SCHEMBL29560754 0.79 PRCP (0.65) PRCPGAARECQLGID4MEN1
SCHEMBL23274823 0.78 PRCP (0.69) PRCPGAARECQLGID4MEN1
SCHEMBL29924401 0.78 PRCP (0.69) PRCPGAARECQLGID4MEN1
SCHEMBL6639476 0.76 PRCP (0.54) PRCPGAARECQLGID4MEN1

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
US-6916830-B2 Substituted tetrahydroisoquinolines as C5a receptor modulators NEUROGEN CORPORATION (US) 2005-07-12 US claimed
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 PRCP 600/4885GAA 4731/4885RECQL 1631/4885
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 PRCP 2373/4885GAA 4746/4885RECQL 3453/4885

“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.