SCHEMBL7101006

SCHEMBL7101006

CCCNc1ccc(C(=O)OCC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CASP3 P42574 1/20 0.60
TRPV1 Q8NER1 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
HPGD P15428 2/20 0.59
RECQL P46063 1/20 0.59
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
TSHR P16473 1/20 0.58
CA12 O43570 1/20 0.58
ESR1 P03372 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
ESR2 Q92731 1/20 0.58
CA14 Q9ULX7 1/20 0.58
RAB9A P51151 7/20 0.57
NPC1 O15118 3/20 0.57
LMNA P02545 3/20 0.57

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
SCHEMBL5025348 0.90 LMNA (0.70) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL13444627 0.90 LMNA (0.61) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL11334918 0.87 LMNA (0.63) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL22438952 0.87 LMNA (0.63) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL11503340 0.87 LMNA (0.63) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL28018634 0.87 LMNA (0.63) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL9107929 0.87 CA1 (0.59) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL11378981 0.87 MAPT (0.57) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL3083718 0.86 HPGD (0.63) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL9804183 0.86 HPGD (0.63) MAPTMEN1KMT2ACASP3TRPV1

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
WO-2017041665-A1 3-(N,N-DISUBSTITUTED AMINO GROUP) PROPANAMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN MEDICINE 沈阳药科大学 2017-03-16 WO disclosed
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 US disclosed
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 US disclosed
EP-0878196-B1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2003-09-03 EP disclosed
US-6165980-A Distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-12-26 US disclosed
US-6133258-A PYRIDOTHIAZINE DERIVATIVE; FOR TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS, MULTIPLE SCLEROSIS, PAIN, GLAUCOMA YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
EP-0878196-A1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-11-18 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-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 MAPT 4744/4885MEN1 3150/4885KMT2A 2658/4885

“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.