SCHEMBL7724029

SCHEMBL7724029

N[C@H]1CCN(CCc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.61
ACHE P22303 1/20 0.60
CCR3 P51677 1/20 0.58
SLC6A3 Q01959 1/20 0.55
SIGMAR1 Q99720 2/20 0.53
HTR2A P28223 3/20 0.51
HTR2C P28335 2/20 0.51
SPHK1 Q9NYA1 1/20 0.51
KCNH2 Q12809 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL4784273 1.00 LTA4H (0.61) LTA4HACHECCR3SLC6A3SIGMAR1
SCHEMBL4222408 1.00 LTA4H (0.61) LTA4HACHECCR3SLC6A3SIGMAR1
SCHEMBL25285380 0.90 SLC6A3 (0.61) LTA4HACHECCR3SLC6A3SIGMAR1
SCHEMBL21197752 0.90 SLC6A3 (0.61) LTA4HACHECCR3SLC6A3SIGMAR1
SCHEMBL1803484 0.89 ACHE (0.69) ACHECCR3SLC6A3SIGMAR1HTR2A
Hydrochloric Acid SCHEMBL8788285 0.88 ACHE (0.67) ACHECCR3SLC6A3SIGMAR1HTR2A
Hydrochloric Acid SCHEMBL11534786 0.88 ACHE (0.67) ACHECCR3SLC6A3SIGMAR1HTR2A
SCHEMBL4322160 0.84 ACHE (0.54) ACHECCR3SLC6A3SIGMAR1HTR2A
SCHEMBL4322172 0.84 ACHE (0.54) ACHECCR3SLC6A3SIGMAR1HTR2A
SCHEMBL4322177 0.84 ACHE (0.54) ACHECCR3SLC6A3SIGMAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107567445-B 2-phenyl-3H-imidazo [4,5-B ] pyridine derivatives useful as inhibitors of mammalian tyrosine kinase ROR1 activity 坎塞拉有限公司 2021-06-29 CN disclosed
EP-1796678-B1 CARBOXAMIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-04-14 EP disclosed
US-7390798-B2 Carboxamide spirolactam CGRP receptor antagonists MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-7390798-B2 Carboxamide spirolactam CGRP receptor antagonists MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
US-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
US-6468998-B1 ANTAGONIZE SEROTONIN 2 RECEPTORS, SUPPRESS PLATELET AGGREGATION, IMPROVE PERIPHERAL CIRCULATION AND PROMOTE LACHRYMATION MITSUBISHI PHARMA CORPORATION (JP) 2002-10-22 US disclosed
EP-1125922-A1 PYRROLIDINE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-08-22 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-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists BDKRB1, CALCRL, BDKRB2 LTA4H 1376/4885ACHE 1465/4885CCR3 654/4885

“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.