SCHEMBL2079732

SCHEMBL2079732

N[C@H]1CC[C@@H](CCO)N(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.51
POLB P06746 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA9 Q16790 2/20 0.44
TMEM97 Q5BJF2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2079734 1.00 SIGMAR1 (0.51) SIGMAR1POLBALDH1A1LMNAGAA
SCHEMBL2079737 1.00 SIGMAR1 (0.51) SIGMAR1POLBALDH1A1LMNAGAA
SCHEMBL25594212 0.82 MAPT (0.41) SIGMAR1
SCHEMBL4373775 0.81 GRM6 (0.40) SIGMAR1POLBCA1CA2CA4
SCHEMBL4373770 0.81 GRM6 (0.40) SIGMAR1POLBCA1CA2CA4
SCHEMBL4373773 0.81 GRM6 (0.40) SIGMAR1POLBCA1CA2CA4
SCHEMBL11990378 0.80 SIGMAR1 (0.61) SIGMAR1POLBALDH1A1LMNAGAA
SCHEMBL6994439 0.78 SIGMAR1 (0.53) SIGMAR1POLBALDH1A1LMNAGAA
SCHEMBL7309438 0.77 MAPT (0.45) SIGMAR1
SCHEMBL7308251 0.77 MAPT (0.45) SIGMAR1

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-7906532-B2 Antiserotonine agents; gastrointestinal disorders; irritable bowel syndrome; central nervous system disorders; Alzheimer's disease; cognition activators; analgesics; cardiovascular disorders; antidiabetic agents; sleep disorders PFIZER INC. (US) 2011-03-15 US disclosed
EP-1910340-B1 INDAZOLECARBOXAMIDE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER (US) 2009-11-18 EP disclosed
US-20080269211-A1 Indazole Derivatives PFIZER INC 2008-10-30 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-20080269211-A1 Indazole Derivatives GPR119, HRH4, HTR4 SIGMAR1 387/4885POLB 4638/4885ALDH1A1 1475/4885

“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.