SCHEMBL14112697

SCHEMBL14112697

CNC[C@H]1CCc2cc(F)cc(-c3cc(Cl)ccc3Cl)c2O1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.66
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
DRD2 P14416 4/20 0.33
DRD4 P21917 4/20 0.33
DRD3 P35462 4/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EZH2 Q15910 1/20 0.31
HTR1A P08908 1/20 0.31

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 SCHEMBL4621954 0.99 AQP1 (0.65) AQP1NFKB1NFKB2RELADRD2
SCHEMBL14112699 0.91 AQP1 (0.80) AQP1NFKB1NFKB2RELADRD2
Hydrochloric Acid SCHEMBL4622016 0.90 AQP1 (0.78) AQP1NFKB1NFKB2RELADRD2
SCHEMBL4232178 0.89 AQP1 (0.83) AQP1CHRM1CHRM3MAPTMAPK1
SCHEMBL14112696 0.88 AQP1 (0.62) AQP1NFKB1NFKB2RELADRD2
Hydrochloric Acid SCHEMBL4622038 0.87 AQP1 (0.61) AQP1NFKB1NFKB2RELADRD2
SCHEMBL14112727 0.85 AQP1 (0.64) AQP1NFKB1NFKB2RELACHRM1
SCHEMBL8203894 0.85 AQP1 (0.64) AQP1NFKB1NFKB2RELACHRM1
SCHEMBL4619713 0.84 AQP1 (0.48) AQP1NFKB1NFKB2RELADRD2
SCHEMBL14112656 0.84 AQP1 (0.48) AQP1NFKB1NFKB2RELADRD2

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 3318/4885NFKB1 4732/4885NFKB2 4292/4885

“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.