SCHEMBL6645952

SCHEMBL6645952

Cc1ccc(N2CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 1.00
HTR3E A5X5Y0 3/20 0.63
HTR3B O95264 3/20 0.63
HTR3A P46098 3/20 0.63
HTR3D Q70Z44 3/20 0.63
HTR3C Q8WXA8 3/20 0.63
SIGMAR1 Q99720 3/20 0.63
ADRB2 P07550 1/20 0.57
NCF1 P14598 1/20 0.57
PLD1 Q13393 1/20 0.57
LTA4H P09960 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53
HTR6 P50406 2/20 0.53
HTR1A P08908 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR7 P34969 1/20 0.53

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
SCHEMBL81940 1.00 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL314404 0.98 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL3719334 0.98 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
Water SCHEMBL27430691 0.96 ADRB1 (0.92) ADRB1HTR3EHTR3BHTR3AHTR3D
Dimethylamine SCHEMBL28750709 0.94 ADRB1 (0.88) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL82301 0.92 ADRB1 (0.85) ADRB1HTR3EHTR3BHTR3AHTR3D
Bicarbonate SCHEMBL11620170 0.90 ADRB1 (0.81) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL21548392 0.89 ADRB1 (0.79) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7136974 0.89 ADRB1 (0.79) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2881718 0.89 ADRB1 (0.79) ADRB1HTR3EHTR3BHTR3AHTR3D

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
US-20040249147-A1 Synthesis of key azole-antifungal intermediates RANBAXY LABORATORIES LIMITED (IN) 2004-12-09 US disclosed
EP-1432704-A1 SYNTHESIS OF KEY AZOLE-ANTIFUNGAL INTERMEDIATES RANBAXY LABORATORIES, LTD. (IN) 2004-06-30 EP disclosed
WO-2003027103-A1 SYNTHESIS OF KEY AZOLE-ANTIFUNGAL INTERMEDIATES RANBAXY LABORATORIES LIMITED (IN) 2003-04-03 WO disclosed
EP-0454501-B1 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides SANKYO CO (JP) 2001-09-05 EP disclosed
EP-0839812-A1 Preparation of benzylthiazolidine derivatives Sankyo Company Limited (JP) 1998-05-06 EP disclosed
US-5387596-A Treating arteriosclerosis SANKYO COMPANY, LIMITED (JP) 1995-02-07 US disclosed
EP-0454501-A2 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides Sankyo Company Limited (JP) 1991-10-30 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-20040249147-A1 Synthesis of key azole-antifungal intermediates ERG28, CYP11B1, CYP2E1 ADRB1 2635/4885HTR3E 3924/4885HTR3B 2857/4885

“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.