SCHEMBL6324876

SCHEMBL6324876

O=[N+]([O-])c1ccc(CCN2CC=CCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 1.00
KCNJ1 P48048 14/20 0.69
KCNH2 Q12809 13/20 0.69
HRH3 Q9Y5N1 1/20 0.66
MAOB P27338 1/20 0.57
SIGMAR1 Q99720 1/20 0.57

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
SCHEMBL7227791 0.85 MAOA (0.74) MAOAKCNJ1KCNH2HRH3
Hydrochloric Acid SCHEMBL8661674 0.84 MAOA (0.72) MAOAKCNJ1KCNH2HRH3
SCHEMBL11029533 0.83 KCNJ1 (0.81) MAOAKCNJ1KCNH2HRH3SIGMAR1
SCHEMBL2731306 0.82 KCNJ1 (1.00) MAOAKCNJ1KCNH2HRH3SIGMAR1
SCHEMBL5653299 0.80 HRH3 (0.93) MAOAKCNJ1KCNH2HRH3SIGMAR1
SCHEMBL3156895 0.80 HRH3 (1.00) MAOAKCNJ1KCNH2HRH3SIGMAR1
SCHEMBL914324 0.78 HRH3 (0.97) MAOAKCNJ1KCNH2HRH3SIGMAR1
SCHEMBL3156570 0.78 HRH3 (0.97) MAOAKCNJ1KCNH2HRH3SIGMAR1
SCHEMBL3526680 0.77 KCNJ1 (0.87) MAOAKCNJ1KCNH2HRH3SIGMAR1
SCHEMBL4315787 0.76 MAOA (0.71) MAOAHRH3MAOBSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 MAOA 1263/4885KCNJ1 3451/4885KCNH2 2370/4885

“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.