SCHEMBL1038962

SCHEMBL1038962

CCCCNC(=O)c1ccc(C(C(=O)OCC)N2CCCCC2)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPT P10636 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 2/20 0.37
RAD52 P43351 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36
CASP7 P55210 1/20 0.36

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
Hydrochloric Acid SCHEMBL5655852 0.99 ALDH1A1 (0.40) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL1041265 0.83 TSHR (0.47) TSHRALDH1A1LMNASMN1; SMN2CNR2
Hydrochloric Acid SCHEMBL5654319 0.82 TSHR (0.47) TSHRALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL5655696 0.77 TSHR (0.38) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL2970430 0.73 CHRM2 (0.42) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL2972728 0.70 CHRM2 (0.49) ALDH1A1MEN1KMT2ALMNACHRM2
Hydrochloric Acid SCHEMBL2972725 0.69 CHRM2 (0.48) ALDH1A1MEN1KMT2ALMNACHRM2
SCHEMBL2978128 0.69 KDM1A (0.43) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL2870098 0.69 LMNA (0.71) TSHRALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL2964838 0.68 KDM1A (0.42) TSHRALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581490-B1 SUBSTITUTED 5-AMINOMETHYL-1H-PYRROLE-2-CARBOXAMIDES GRUENENTHAL GMBH (DE) 2011-01-26 EP claimed
US-7229991-B2 Substituted 5-aminomethyl-1H-pyrrole-2-carboxamides GRUENENTHAL GMBH (DE) 2007-06-12 US claimed
US-20050288342-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxamides GRUENENTHAL GMBH (DE) 2005-12-29 US claimed
US-7229991-B2 Substituted 5-aminomethyl-1H-pyrrole-2-carboxamides GRUENENTHAL GMBH (DE) 2007-06-12 US disclosed
US-20050288342-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxamides GRUENENTHAL GMBH (DE) 2005-12-29 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-20050288342-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxamides QPCT, PGA5, ALDH18A1 TSHR 3081/4885ALDH1A1 881/4885MEN1 2422/4885

“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.