SCHEMBL5245072

SCHEMBL5245072

[CH2]CCOCCCNCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 3/20 0.44
CYP1A2 P05177 1/20 0.44
SAT1 P21673 3/20 0.40
KDM1A O60341 5/20 0.38
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.30
ADRB2 P07550 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL13822687 0.88 CYP2C19 (0.58) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL5596629 0.86
SCHEMBL5246451 0.84 TSHR (0.44) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL5596696 0.84
SCHEMBL15510951 0.81 TSHR (0.62) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL14930298 0.81 TSHR (0.55) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL5932726 0.81 CYP2C19 (0.57) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL30875975 0.81 CYP2C19 (0.50) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL15442502 0.80 CYP2C19 (0.60) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL15511439 0.79 TSHR (0.59) CYP2C19MEN1GLAKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379598-B1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AG (DE) 2007-09-12 EP disclosed
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 US disclosed
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
EP-1379598-A1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-01-14 EP disclosed
WO-2002086000-A1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2002-10-31 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 (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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A CYP2C19 4112/4885MEN1 2341/4885GLA 3876/4885

“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.