SCHEMBL4984849

SCHEMBL4984849

COC(CC1(O)CCCCC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRM4 P08173 1/20 0.39
LMNA P02545 3/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 3/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
OPRL1 P41146 3/20 0.37
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
SLC6A3 Q01959 3/20 0.35
CNR1 P21554 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL4685651 0.80 SLC6A2 (0.34) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL4540373 0.80 CHRNB2 (0.42) CHRM2CHRM1CHRM3CHRM4SLC6A2
SCHEMBL5538602 0.78 MME (0.39) CHRM2CHRM1CHRM3CHRM4LMNA
Hydrochloric Acid SCHEMBL6926712 0.77 MME (0.39) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL10749458 0.76 OPRM1 (0.39) CHRM2CHRM1CHRM3CHRM4SLC6A2
SCHEMBL6442517 0.74 OPRM1 (0.39) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL4632472 0.74 CHRNB2 (0.43) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL29013210 0.73 GAA (0.47) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL3290815 0.72 GABBR2 (0.48) KMT2A
SCHEMBL2517935 0.72 GABBR2 (0.48) KMT2A

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-20080227850-A1 USE OF NOREPINEPHRINE REUPTAKE MODULATORS FOR PREVENTING AND TREATING VASOMOTOR SYMPTOMS WYETH (US) 2008-09-18 US disclosed
US-7345096-B2 Use of norepinephrine reuptake modulators for preventing and treating vasomotor symptoms WYETH (US) 2008-03-18 US disclosed
US-20070010543-A1 Compositions and methods for treating gastrointestinal hypomotility and associated disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-01-11 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-20070010543-A1 Compositions and methods for treating gastrointestinal hypomotility and associated disorders HTR3A, HNMT, HTR3B CHRM2 72/4885CHRM1 132/4885CHRM3 27/4885

“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.