SCHEMBL14112696

SCHEMBL14112696

CNC[C@H]1CCc2cc(F)cc(-c3ccccc3Cl)c2O1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.62
DRD2 P14416 7/20 0.38
DRD4 P21917 7/20 0.38
DRD3 P35462 7/20 0.38
NFKB1 P19838 5/20 0.36
NFKB2 Q00653 5/20 0.36
RELA Q04206 5/20 0.36
HTR1A P08908 1/20 0.35
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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 SCHEMBL4622038 0.99 AQP1 (0.61) AQP1DRD2DRD4DRD3NFKB1
SCHEMBL14112703 0.88 AQP1 (0.53) AQP1DRD2DRD4DRD3NFKB1
SCHEMBL4224840 0.88 AQP1 (0.79) AQP1DRD2DRD4DRD3CHRM2
SCHEMBL4224838 0.88 AQP1 (0.79) AQP1DRD2DRD4DRD3CHRM2
SCHEMBL14112697 0.88 AQP1 (0.66) AQP1DRD2DRD4DRD3NFKB1
SCHEMBL14112699 0.88 AQP1 (0.80) AQP1DRD2DRD4DRD3NFKB1
Hydrochloric Acid SCHEMBL4621235 0.87 AQP1 (0.52) AQP1DRD2DRD4DRD3NFKB1
SCHEMBL8258240 0.87 AQP1 (0.48) AQP1DRD2DRD4DRD3NFKB1
Hydrochloric Acid SCHEMBL4622016 0.87 AQP1 (0.78) AQP1DRD2DRD4DRD3NFKB1
Hydrochloric Acid SCHEMBL4621954 0.87 AQP1 (0.65) AQP1DRD2DRD4DRD3NFKB1

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
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 AQP1 3318/4885DRD2 63/4885DRD4 107/4885

“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.