SCHEMBL15908896

SCHEMBL15908896

O[C@]1(c2ccccc2)CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.51
HTT P42858 1/20 0.51
NPY2R P49146 1/20 0.51
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
OPRL1 P41146 1/20 0.49
POLB P06746 1/20 0.48
FUCA1 P04066 2/20 0.45
HTR1A P08908 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
CCR3 P51677 1/20 0.42

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
SCHEMBL4608914 0.85 SLC6A3 (0.47) NPY1RHTTNPY2R
SCHEMBL4653088 0.83 NPY1R (0.47) NPY1RHTTNPY2RALDH1A1POLB
SCHEMBL4653085 0.83 NPY1R (0.47) NPY1RHTTNPY2RALDH1A1POLB
SCHEMBL4653089 0.83 NPY1R (0.47) NPY1RHTTNPY2RALDH1A1POLB
SCHEMBL14538699 0.82 LTA4H (0.49) HTT
SCHEMBL4651854 0.81 NPY1R (0.41) NPY1RHTTNPY2RALDH1A1TSHR
SCHEMBL4609111 0.80 HRH3 (0.48)
SCHEMBL4624618 0.80 HRH3 (0.48)
SCHEMBL4607992 0.80 HRH3 (0.48)
SCHEMBL14538713 0.80 HRH3 (0.48)

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-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 US claimed
US-8796470-B2 Substituted octahydrocyclopenta[c]pyrroles as calcium channel modulators ABBVIE INC. (US) 2014-08-05 US disclosed
US-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 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-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ORAI1, CACNA1E, RYR1 NPY1R 213/4885HTT 1436/4885NPY2R 222/4885

“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.