SCHEMBL4408728

SCHEMBL4408728

CC(C)(C)n1nnnc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 4/20 0.50
LMNA P02545 2/20 0.49
HSD17B10 Q99714 1/20 0.49
PTGS2 P35354 2/20 0.46
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.42
AVPR1A P37288 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
P2RX7 Q99572 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL8947286 0.82 PTGS2 (0.46) ALDH1A1TSHRLMNAHSD17B10PTGS2
SCHEMBL3939272 0.81 ALDH1A1 (0.33) ALDH1A1TSHRLMNAHSD17B10PTGS2
SCHEMBL4405748 0.81 LMNA (0.53) ALDH1A1TSHRLMNAHSD17B10PTGS2
SCHEMBL4409008 0.81 LMNA (0.49) ALDH1A1TSHRLMNAHSD17B10PTGS2
SCHEMBL2012054 0.81 LMNA (0.53) ALDH1A1TSHRLMNAHSD17B10PTGS2
SCHEMBL976147 0.79 LMNA (0.47) ALDH1A1TSHRLMNAHSD17B10PTGS2
SCHEMBL4407231 0.79 LMNA (0.47) ALDH1A1TSHRLMNAHSD17B10PTGS2
SCHEMBL8947161 0.78 TP53 (0.46) ALDH1A1TSHRHSD17B10SMN1; SMN2POLB
SCHEMBL4407811 0.78 LMNA (0.50) ALDH1A1TSHRLMNAHSD17B10PTGS2
SCHEMBL7647188 0.78 POLB (0.41) ALDH1A1TSHRHSD17B10PTGS2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-7589204-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
US-7589207-B2 Cyclohexyl compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
US-7569579-B2 for inhibition of HIV replication and treatment of acquired immune deficiency syndrome SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 US disclosed
US-7531661-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-05-12 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
US-5965738-A Process for producing N-biphenylmethylthiadiazoline derivative or salt thereof and intermediate for producing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-10-12 US disclosed
EP-0782996-B1 PROCESS FOR PRODUCING N-BIPHENYLMETHYLTHIADIAZOLINE DERIVATIVE OR SALT THEREOF AND INTERMEDIATE FOR PRODUCING THE SAME WAKUNAGA SEIYAKU KK (JP) 1999-02-17 EP disclosed
EP-0782996-A1 PROCESS FOR PRODUCING N-BIPHENYLMETHYLTHIADIAZOLINE DERIVATIVE OR SALT THEREOF AND INTERMEDIATE FOR PRODUCING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-09 EP 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 (1 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-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CCL5, IDO1 ALDH1A1 2472/4885TSHR 2844/4885LMNA 4180/4885

“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.