SCHEMBL13385015

SCHEMBL13385015

O=C(O)c1ccc(Cl)c2c1OCCCO2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 5/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
CASP1 P29466 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 3/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 2/20 0.36
NOTUM Q6P988 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9388924 0.93 ALDH1A1 (0.42) SMN1; SMN2TSHRALDH1A1TP53CASP1
SCHEMBL7387063 0.81 ALDH1A1 (0.41) SMN1; SMN2TSHRALDH1A1TP53CASP1
SCHEMBL10792029 0.80 KDM4E (0.48) SMN1; SMN2TSHRALDH1A1TP53CASP1
SCHEMBL13385014 0.80 KDM4E (0.42) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL13315473 0.79 NPC1 (0.44) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL13315458 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TP53MEN1KMT2A
SCHEMBL11257320 0.78 KDM4E (0.41) ALDH1A1MEN1KMT2AHSD17B10NPC1
SCHEMBL13315461 0.77 SMN1; SMN2 (0.44) SMN1; SMN2TSHRALDH1A1TP53CASP1
SCHEMBL857118 0.75 KDM4E (0.67) SMN1; SMN2ALDH1A1HSD17B10NPC1RAB9A
SCHEMBL8296344 0.75 SMN1; SMN2 (0.49) SMN1; SMN2TSHRALDH1A1TP53CASP1

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
US-8334304-B2 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-18 US disclosed
US-8334304-B2 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-18 US disclosed
US-20100087483-A1 Aminosulfonyl Substituted 4-(Aminomethyl)-Piperidine Benzamides As 5HT 4-Antagonists BOSMANS JEAN-PAUL RENE MARIE ANDRE 2010-04-08 US disclosed
US-20100087483-A1 Aminosulfonyl Substituted 4-(Aminomethyl)-Piperidine Benzamides As 5HT 4-Antagonists BOSMANS JEAN-PAUL RENE MARIE ANDRE 2010-04-08 US disclosed
US-7652040-B2 gastrointestinal disorders hypermotility, irritable bowel syndrome, constipation or diarrhea JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
US-7638535-B2 (3S)-trans)-8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid [3-hydroxy-1-(3-methoxy-propyl)-piperidin-4-ylmethyl]-amide; hypermotility, irritable bowel syndrome, constipation or diarrhea predominant IDS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-29 US disclosed
US-7638535-B2 (3S)-trans)-8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid [3-hydroxy-1-(3-methoxy-propyl)-piperidin-4-ylmethyl]-amide; hypermotility, irritable bowel syndrome, constipation or diarrhea predominant IDS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-29 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-20100087483-A1 Aminosulfonyl Substituted 4-(Aminomethyl)-Piperidine Benzamides As 5HT 4-Antagonists HTR4, HTR2B, HTR2C SMN1; SMN2 1464/4885TSHR 1352/4885ALDH1A1 1067/4885

“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.