SCHEMBL863907

SCHEMBL863907

Clc1ccc2c(c1)OC1(CCN(Cc3ccccc3)CC1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.59
DRD2 P14416 2/20 0.51
HDAC3 O15379 4/20 0.48
HDAC4 P56524 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
CCR3 P51677 1/20 0.48
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 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 SCHEMBL11256980 0.99 SIGMAR1 (0.57) SIGMAR1DRD2HDAC3HDAC4HDAC1
SCHEMBL11176916 0.90 DRD2 (0.62) SIGMAR1DRD2HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL10503101 0.89 DRD2 (0.61) SIGMAR1DRD2HDAC3HDAC4HDAC1
SCHEMBL864155 0.85 SIGMAR1 (0.79) SIGMAR1DRD2HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL11193368 0.84 SIGMAR1 (0.77) SIGMAR1DRD2HDAC3HDAC4HDAC1
SCHEMBL4211897 0.82 DRD2 (0.69) SIGMAR1DRD2HDAC3HDAC4HDAC1
SCHEMBL4222966 0.82 SIGMAR1 (0.74) SIGMAR1DRD2HDAC3HDAC4HDAC1
SCHEMBL4228161 0.81 SIGMAR1 (0.76) SIGMAR1DRD2HDAC3HDAC4HDAC1
SCHEMBL863908 0.81 SIGMAR1 (0.71) SIGMAR1DRD2HDAC3HDAC4HDAC1
SCHEMBL28549863 0.80 DRD2 (0.43) DRD2KCNH2

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
EP-2440563-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-04-18 EP disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
EP-0004952-B1 SPIRO-(DIHYDROBENZOFURANPIPERIDINES AND -PYRROLIDINES) AND DERIVATIVES THEREOF, METHODS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-07 EP disclosed
EP-0004951-B1 N-(3-BENZOYLPROPYL)-SPIRO-(DIHYDROBENZOFURANPIPERIDINES AND -PYRROLIDINES), DERIVATIVES THEREOF, METHODS FOR THEIR PREPARATION AND THEIR USE FOR MEDICINES HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-13 EP disclosed
EP-0004952-A1 Spiro-(dihydrobenzofuranpiperidines and -pyrrolidines) and derivatives thereof, methods for their preparation and medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-31 EP disclosed
EP-0004951-A1 N-(3-benzoylpropyl)-spiro-(dihydrobenzofuranpiperidines and -pyrrolidines), derivatives thereof, methods for their preparation and their use for medicines HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-31 EP disclosed
US-4166120-A Analgesic and tranquilizing benzoylpropyl-spiro[dihydrobenzofuran]piperidines and pyrrolidines AMERICAN HOECHST CORPORATION (US) 1979-08-28 US disclosed
US-4166119-A Analgesic and tranquilizing spiro[dihydrobenzofuran]piperidines and pyrrolidines AMERICAN HOECHST CORPORATION (US) 1979-08-28 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-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 SIGMAR1 179/4885DRD2 194/4885HDAC3 637/4885

“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.