SCHEMBL5146513

SCHEMBL5146513

CCCCCC(C)NC(=O)C[O]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH4 P08319 1/20 0.46
ADH7 P40394 1/20 0.46
MAPK1 P28482 1/20 0.46
MLYCD O95822 1/20 0.45
CA1 P00915 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
POLB P06746 1/20 0.41
KCNK3 O14649 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
CNR2 P34972 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL14370371 0.88 FAAH (0.48) FAAHMEN1KMT2AADH1BADH1C
SCHEMBL4501645 0.86 FAAH (0.47) FAAHMEN1KMT2AADH1BADH1C
SCHEMBL15444589 0.86 FAAH (0.47) FAAHMEN1KMT2AADH1BADH1C
SCHEMBL5141993 0.85 POLB (0.53) FAAHMEN1KMT2AMAPK1POLB
SCHEMBL1516132 0.84 FAAH (0.66) FAAHMEN1KMT2AMAPK1KCNK3
SCHEMBL28345296 0.84 FAAH (0.50) FAAHMEN1KMT2AADH1BADH1C
SCHEMBL13267751 0.84 FAAH (0.50) FAAHMEN1KMT2AADH1BADH1C
SCHEMBL2182220 0.84 FAAH (0.50) FAAHMEN1KMT2AADH1BADH1C
SCHEMBL2481774 0.82 FAAH (0.69) FAAHMEN1KMT2AMAPK1KCNK3
SCHEMBL5682814 0.82 FAAH (0.69) FAAHMEN1KMT2AMAPK1KCNK3

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-7217706-B2 Propanolamine derivatives ASTELLAS PHARMA INC. (JP) 2007-05-15 US disclosed
EP-1382333-A2 Use of beta 3 adrenergic receptor agonists in the treatment of dysuria FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-21 EP disclosed
US-6495546-B1 SUCH AS 1-(N-BENZYL-N-(3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO-CYCLOHEPTEN-6-YL)AMINO)-3-PHENOXY-2-PROPANOL; ADRENERGIC RECEPTOR AGONISTS; ANTIULCEROUS, LIPOLYTIC, ANTIURINARY INCONTINENCE AND ANTIPOLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-20020120148-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-08-29 US disclosed
US-5358949-A Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 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-20020120148-A1 Propanolamine derivatives AMY2A, PNMT, PNLIP FAAH 146/4885MEN1 1043/4885KMT2A 2618/4885

“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.