SCHEMBL6538738

SCHEMBL6538738

CCCN(CCC)C(=O)COc1ccc([C]=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
TRPM8 Q7Z2W7 11/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 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
SCHEMBL6539252 0.91 POLB (0.49) POLBTRPM8NPC1RAB9A
SCHEMBL6539238 0.87 NPC1 (0.65) TRPM8NPC1RAB9A
SCHEMBL6538461 0.80 SMN1; SMN2 (0.63) POLBNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6538743 0.80 NPC1 (0.52) POLBTRPM8NPC1RAB9ASMN1; SMN2
SCHEMBL6539640 0.78 SRD5A2 (0.61) TRPM8NPC1RAB9ASMN1; SMN2
SCHEMBL18323271 0.77 TRPM8 (0.48) POLBTRPM8SMN1; SMN2
SCHEMBL9442785 0.73 LMNA (0.58) POLBTRPM8NPC1RAB9ASMN1; SMN2
SCHEMBL910859 0.73 NQO1 (0.67) POLBNPC1SMN1; SMN2LMNA
SCHEMBL9309350 0.73 NPC1 (0.59) POLBTRPM8NPC1RAB9ASMN1; SMN2
SCHEMBL7284688 0.72 FFAR1 (0.67) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB POLB 3534/4885TRPM8 1307/4885NPC1 1562/4885

“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.