SCHEMBL21060754

SCHEMBL21060754

Ic1ccc2c(cnn2C2CCNCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM1A O60341 1/20 0.41
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
GPR119 Q8TDV5 2/20 0.36
SCD O00767 1/20 0.35
TNKS O95271 2/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PIK3CD O00329 1/20 0.35
CCR3 P51677 1/20 0.34
PRMT5 O14744 1/20 0.34
NSD3 Q9BZ95 1/20 0.34
KHK P50053 1/20 0.34

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
SCHEMBL411900 0.88 PDE9A (0.38) GPR119SCDTNKSDDB1CRBN
SCHEMBL21058152 0.86 NR3C1 (0.39) ALDH1A1MAPTTDP1GPR119SCD
SCHEMBL30450183 0.82 MEN1 (0.43) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL15325873 0.82 KDM1A (0.52) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL1871485 0.82 ALDH1A1 (0.50) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL10060682 0.82 MEN1 (0.43) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL21057930 0.81 TEAD1 (0.36) GPR119SCDTNKSDDB1CRBN
Hydrochloric Acid SCHEMBL15655447 0.81 KDM1A (0.51) MEN1ALDH1A1MAPTPKMALOX15
Hydrochloric Acid SCHEMBL30508276 0.81 MEN1 (0.42) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL28439260 0.79 GPR119 (0.38) GPR119SCDTNKSDDB1CRBN

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-3728219-B1 SUBSTITUTED PYRROLIDINE AMIDES I GRUENENTHAL GMBH (DE) 2022-04-13 EP disclosed
EP-3728219-A1 SUBSTITUTED PYRROLIDINE AMIDES I Grünenthal GmbH (DE) 2020-10-28 EP disclosed
CN-111556867-A Substituted pyrrolidine amides I 格吕伦塔尔有限公司 2020-08-18 CN disclosed
US-10626106-B2 Substituted pyrrolidine amides I GRUENENTHAL GMBH (DE) 2020-04-21 US disclosed
US-20190185455-A1 Substituted Pyrrolidine Amides I GRUENENTHAL GMBH (DE) 2019-06-20 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 (2 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-10626106-B2 Substituted pyrrolidine amides I NR3C1, NR3C2, NR5A1 MEN1 2976/4885ALDH1A1 814/4885MAPT 4422/4885
US-20190185455-A1 Substituted Pyrrolidine Amides I NR3C1, NR3C2, NR5A1 MEN1 2976/4885ALDH1A1 814/4885MAPT 4422/4885

“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.