SCHEMBL3150207

SCHEMBL3150207

CN1CCC[C@@H]1CCNc1nccc(CNc2ncccc2C(=O)Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.51
▸ HTT P42858 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KDR P35968 5/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ FLT1 P17948 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ PDE4D Q08499 1/20 0.42

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
SCHEMBL3150215 1.00 LMNA (0.51) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL447378 1.00 LMNA (0.51) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL448181 0.87 KDR (0.43) LMNAHTTMEN1KMT2AMAPT
SCHEMBL450109 0.83 LCK (0.56) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL445690 0.82 KDR (0.58) KDRFLT1LCKNMT1ABL1
SCHEMBL3155284 0.81 KDR (0.47) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL13417761 0.81 KDR (0.47) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL3154554 0.81 KDR (0.47) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL448605 0.80 KDR (0.41) KDRFLT1LCKNMT1ABL1
SCHEMBL3150841 0.77 KDR (0.47) LMNAHTTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 — — US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 — — US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 — — EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 — — WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 — — US 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC LMNA 1555/4885HTT 1717/4885MEN1 846/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC LMNA 1555/4885HTT 1717/4885MEN1 846/4885

“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.

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