SCHEMBL2977828

SCHEMBL2977828

Cn1cccc1CNC1CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL8250796 0.93 KDM4E (0.52) HSD11B1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL4654381 0.90 HSD11B1 (0.42) HSD11B1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL13899637 0.77 HSD11B1 (0.40) HSD11B1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL13212481 0.77 HSD11B1 (0.40) HSD11B1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL12311473 0.76 VEGFA (0.44) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL6345896 0.74
SCHEMBL18539288 0.72
SCHEMBL2979417 0.71 KMT2A (0.56) HSD11B1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL1038510 0.71 ALDH1A1 (0.57) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL14454192 0.69 MEN1 (0.65) MEN1KMT2AALDH1A1CYP3A4CYP2D6

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
US-7776903-B2 Pharmaceutical preparations containing substituted 2,5-diaminomethyl-1H-pyrroles GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
EP-1578416-B1 MEDICAMENTS CONTAINING SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES GRUENENTHAL GMBH (DE) 2006-08-02 EP disclosed
US-20050272782-A1 Pharmaceutical preparations containing substituted 2,5-diaminomethyl-1H-pyrroles GRUENENTHAL GMBH (DE) 2005-12-08 US disclosed
EP-1578416-A1 MEDICAMENTS CONTAINING SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES Grünenthal GmbH (DE) 2005-09-28 EP disclosed
WO-2004058248-A1 MEDICAMENTS CONTAINING SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES Grünenthal GmbH (DE) 2004-07-15 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-20050272782-A1 Pharmaceutical preparations containing substituted 2,5-diaminomethyl-1H-pyrroles THPO, ADCYAP1R1, DPYD HSD11B1 2883/4885MEN1 1349/4885KMT2A 2739/4885

“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.