SCHEMBL4049778

SCHEMBL4049778

c1ccc2c(c1)cc1n2CCCO1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
SIGMAR1 Q99720 6/20 0.33
MPO P05164 1/20 0.33
NOTUM Q6P988 1/20 0.32
KMT2A Q03164 1/20 0.31
HTR3A P46098 1/20 0.31
HTR4 Q13639 1/20 0.31

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
SCHEMBL18911627 0.89 HTR2A (0.42) HTR2AHTR2CSIGMAR1NOTUMKMT2A
SCHEMBL11237593 0.78 KMT2A (0.44) KMT2A
SCHEMBL19608988 0.74 EGFR (0.39) HTR2AHTR2CKMT2A
SCHEMBL19608952 0.73 CYP19A1 (0.35) HTR2AHTR2CHTR3A
SCHEMBL31487049 0.72 HTR2A (0.49) HTR2AHTR2CSIGMAR1NOTUM
SCHEMBL11236800 0.69 KMT2A (0.53) KMT2A
SCHEMBL30703022 0.68 HTR2A (0.64) HTR2AHTR2CSIGMAR1NOTUM
SCHEMBL761931 0.68 HTR2A (0.64) HTR2AHTR2CSIGMAR1NOTUM
SCHEMBL11364424 0.67 GLO1 (0.39) KMT2A
SCHEMBL29548539 0.67 HTR2A (0.62) HTR2AHTR2CSIGMAR1NOTUM

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-6331631-B1 Preparation of 1-butyl-4-piperidinylmethylamine SMITHKLINE CORPORATION P.L.C. (GB) 2001-12-18 US claimed
EP-0927163-A1 PREPARATION OF 1-BUTYL-4-PIPERIDINYLMETHYLAMINE SMITHKLINE BEECHAM PLC (GB) 1999-07-07 EP claimed
WO-1998011067-A1 PREPARATION OF 1-BUTYL-4-PIPERIDINYLMETHYLAMINE SMITHKLINE BEECHAM P.L.C. (GB) 1998-03-19 WO claimed
WO-2017088746-A1 NEW EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITOR AND APPLICATION THEREOF 南京圣和药业股份有限公司 2017-06-01 WO disclosed
WO-2009097515-A2 [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 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 (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-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PIK3C2A HTR2A 780/4885HTR2C 826/4885SIGMAR1 2859/4885

“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.