SCHEMBL4984844

SCHEMBL4984844

CCC1(O)CCCCC1(OC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.38
SLC6A2 P23975 3/20 0.38
OPRM1 P35372 1/20 0.38
PRCP P42785 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DPP4 P27487 1/20 0.36
AKR1C1 Q04828 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL10618939 0.83 SLC6A4 (0.50) SLC6A4SLC6A2OPRM1SLC6A3
SCHEMBL4540372 0.82 OPRL1 (0.39) SLC6A4OPRM1DPP4MEN1KMT2A
SCHEMBL4685647 0.82 OPRM1 (0.33) SLC6A4SLC6A2OPRM1PRCPSIGMAR1
SCHEMBL5538611 0.75 AKR1C1 (0.38) OPRM1PRCPSIGMAR1DPP4AKR1C1
Hydrochloric Acid SCHEMBL6926723 0.74 ALDH1A1 (0.39) SLC6A2OPRM1PRCPSIGMAR1AKR1C1
SCHEMBL4991848 0.71 TRPA1 (0.36) SLC6A4SLC6A2OPRM1DPP4AKR1C1
SCHEMBL11836311 0.69 CYP3A4 (0.41) SLC6A4SLC6A2SLC6A3ALDH1A1POLB
SCHEMBL11313363 0.66 SLC6A4 (0.48) SLC6A4SLC6A2OPRM1SLC6A3ALDH1A1
SCHEMBL4543656 0.66 TACR1 (0.39) SLC6A4OPRM1MEN1KMT2A
SCHEMBL9330358 0.65 DPP4 (0.63) SLC6A4SLC6A2DPP4SLC6A3

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 SLC6A4 71/4885SLC6A2 108/4885OPRM1 311/4885

“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.