SCHEMBL3150841

SCHEMBL3150841

COc1nccc(CNc2ncccc2C(=O)Nc2cc(OC[C@@H]3CCCN3C)cc(C(F)(F)F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.47
▸ CHRNB4 P30926 4/20 0.39
▸ CHRNA3 P32297 4/20 0.39
▸ CHRNB1 P11230 2/20 0.39
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNB3 Q05901 2/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38

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
SCHEMBL3155284 0.90 KDR (0.47) KDRCHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL13417761 0.90 KDR (0.47) KDRCHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL3154554 0.90 KDR (0.47) KDRCHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL6280539 0.88 KDR (0.53) KDRCHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL3150860 0.88 KDR (0.53) KDRCHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL3155721 0.87 KDR (0.53) KDRCHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL449202 0.87 KDR (0.53) KDRCHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL6103548 0.86 KDR (0.57) KDRMEN1KMT2AMAPTALDH1A1
SCHEMBL201280 0.86 KDR (0.57) KDRMEN1KMT2AMAPTALDH1A1
SCHEMBL448621 0.86 KDR (0.66) KDRFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 — — US claimed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US claimed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 — — US claimed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 — — US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 — — US disclosed
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
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US 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 KDR 15/4885CHRNB4 3031/4885CHRNA3 2615/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885CHRNB4 3031/4885CHRNA3 2615/4885

“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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