SCHEMBL3650326

SCHEMBL3650326

Cc1ccc(F)c(NN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.41
PKM P14618 1/20 0.39
GRM4 Q14833 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CDK4 P11802 2/20 0.37
CDK2 P24941 2/20 0.37
DHFR P00374 1/20 0.37
NFE2L2 Q16236 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 SCHEMBL4587796 0.98 ALDH1A1 (0.41) ALDH1A1LMNATSHRHSD17B10RAB9A
SCHEMBL3648908 0.82 CA1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ACA1
Hydrochloric Acid SCHEMBL1395040 0.80 CA1 (0.48) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL9228325 0.79 LMNA (0.44) ALDH1A1LMNATSHRHSD17B10RAB9A
SCHEMBL25043218 0.79 LMNA (0.44) ALDH1A1LMNATSHRHSD17B10RAB9A
SCHEMBL30950200 0.77 ALDH1A1 (0.42) ALDH1A1LMNATSHRHSD17B10RAB9A
SCHEMBL11405191 0.77 LMNA (0.46) ALDH1A1LMNATSHRHSD17B10RAB9A
SCHEMBL124354 0.76 ALDH1A1 (0.42) ALDH1A1LMNATSHRRAB9ASMN1; SMN2
SCHEMBL29544738 0.76 ALDH1A1 (0.42) ALDH1A1LMNATSHRRAB9ASMN1; SMN2
SCHEMBL30951588 0.76 RAPGEF4 (0.54) ALDH1A1LMNATSHRHSD17B10RAB9A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 EP disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 US disclosed
WO-2020012427-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-01-16 WO disclosed
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles BENTLEY JONATHAN M 2007-05-10 US disclosed
CN-1277828-C Piperzine devivs. HOFFMANN LA ROCHE (CH) 2006-10-04 CN disclosed
US-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles BENTLEY JONATHAN M 2005-10-27 US disclosed
EP-1325008-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-10-05 EP disclosed
US-6933387-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2005-08-23 US disclosed
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 US disclosed
CN-1452622-A Piperzine devivs. HOFFMANN LA ROCHE (CH) 2003-10-29 CN disclosed
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 US disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 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 (6 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-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles GPR119, INSR, GIPR ALDH1A1 368/4885LMNA 1733/4885TSHR 167/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 ALDH1A1 254/4885LMNA 1379/4885TSHR 520/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR ALDH1A1 368/4885LMNA 1733/4885TSHR 167/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A ALDH1A1 225/4885LMNA 1607/4885TSHR 968/4885
US-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 ALDH1A1 1497/4885LMNA 4283/4885TSHR 1878/4885
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 ALDH1A1 2608/4885LMNA 2957/4885TSHR 3874/4885

“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.