SCHEMBL5790770

SCHEMBL5790770

COC1(OC)CC(COCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
TSHR P16473 1/20 0.45
NAAA Q02083 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
AGTR2 P50052 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
BUB1 O43683 1/20 0.37

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
SCHEMBL9394261 0.79 TSHR (0.48) CTSLCTSBCTSKTSHRNAAA
SCHEMBL1613917 0.79 TSHR (0.48) CTSLCTSBCTSKTSHRNAAA
SCHEMBL15927876 0.78 CTSL (0.43) CTSLCTSBCTSKTSHRNAAA
SCHEMBL9813742 0.78 CTSL (0.46) CTSLCTSBCTSKTSHRNAAA
SCHEMBL25631052 0.77 TAAR1 (0.47) CTSLCTSBCTSKTSHRNAAA
SCHEMBL599216 0.77 TSHR (0.45) CTSLCTSBCTSKTSHRNAAA
SCHEMBL15927873 0.76 CTSL (0.51) CTSLCTSBCTSKTSHRNAAA
SCHEMBL31715587 0.76 CTSL (0.42) CTSLCTSBCTSKTSHRNAAA
SCHEMBL1928095 0.76 TSHR (0.58) CTSLCTSBCTSKTSHRNAAA
SCHEMBL17019782 0.76 TSHR (0.58) CTSLCTSBCTSKTSHRNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720847-A1 HISTAMINE-3 RECEPTOR MODULATORS Pfizer Products Incorporated (US) 2006-11-15 EP disclosed
US-7115600-B2 Histamine-3 receptor modulators PFIZER INC. (US) 2006-10-03 US disclosed
WO-2005080361-A1 HISTAMINE-3 RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2005-09-01 WO disclosed
US-20050171181-A1 3-Benzyloxymethyl-1-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanol for example; treating allergies and mood disorders; use in combination with a histamine H1 antagonist or a neurotransmitter re-uptake blocker PFIZER INC 2005-08-04 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-20050171181-A1 3-Benzyloxymethyl-1-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanol for example; treating allergies and mood disorders; use in combination with a histamine H1 antagonist or a neurotransmitter re-uptake blocker HRH3, HRH4, HRH1 CTSL 986/4885CTSB 186/4885CTSK 672/4885

“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.