SCHEMBL4791120

SCHEMBL4791120

C1=C(c2cccc(-c3ccccc3)c2)CCNC1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.79
▸ HTR2C P28335 9/20 0.76
▸ QDPR P09417 3/20 0.56
▸ HTR6 P50406 2/20 0.55
▸ HTR7 P34969 1/20 0.55
▸ HTR2A P28223 1/20 0.51
▸ KHK P50053 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45

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 SCHEMBL4793458 0.98 HTR2C (0.79) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL3899585 0.89 SIGMAR1 (0.92) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL415545 0.89 SIGMAR1 (1.00) SIGMAR1HTR2CQDPRHTR6HTR7
Bromide SCHEMBL11385943 0.87 SIGMAR1 (0.96) SIGMAR1HTR2CQDPRHTR6HTR7
Hydrochloric Acid SCHEMBL446973 0.87 HTR2C (1.00) SIGMAR1HTR2CQDPRHTR6HTR7
Hydrochloric Acid SCHEMBL3676212 0.85 SIGMAR1 (0.92) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL11204336 0.82 SIGMAR1 (0.67) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL29914651 0.81 HTR2C (0.66) SIGMAR1HTR2CQDPR
SCHEMBL21228136 0.81 HTR2C (0.66) SIGMAR1HTR2CQDPR
SCHEMBL4510248 0.81 HTR2C (1.00) SIGMAR1HTR2CQDPRHTR6HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 — — EP claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 — — US claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 — — WO claimed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 — — EP disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 — — US disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 — — US disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 — — US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 — — WO disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 — — WO disclosed
US-5712285-A Pyrrolo-pyridine derivatives MERCK, SHARP & DOHME, LTD. (GB) 1998-01-27 — — 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 (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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 SIGMAR1 2655/4885HTR2C 424/4885QDPR 294/4885

“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.

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