SCHEMBL6737598

SCHEMBL6737598

CN(Cc1ccc([C@H]2CCCC[C@@H]2C(=O)O)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
UTS2R Q9UKP6 1/20 0.42
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
MAOA P21397 3/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
SLC18A3 Q16572 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6733197 0.83 SLC6A2 (0.42) SLC6A2SLC6A4KCNQ3KCNQ2MAOA
SCHEMBL6732177 0.82 KCNQ3 (0.70) SLC6A2SLC6A4KCNQ3KCNQ2MEN1
SCHEMBL6844383 0.81 KCNQ3 (0.49) SLC6A2SLC6A4KCNQ3KCNQ2MAOA
SCHEMBL6738399 0.81 SLC6A2 (0.39) SLC6A2SLC6A4KCNQ3KCNQ2MAOA
SCHEMBL6733188 0.79 ALDH1A1 (0.40) SLC6A2SLC6A4KCNQ3KCNQ2ATM
SCHEMBL5718068 0.77 ATM (0.40) SLC6A2SLC6A4KCNQ3KCNQ2ATM
SCHEMBL22492062 0.77 KCNQ3 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2MEN1
SCHEMBL22492058 0.77 KCNQ3 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2MEN1
SCHEMBL12354198 0.77 KCNQ3 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2MEN1
SCHEMBL838634 0.77 KCNQ3 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235830-A1 Substituted cyclohexane derivatives and the use thereof in medicaments for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2004-11-25 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-20040235830-A1 Substituted cyclohexane derivatives and the use thereof in medicaments for treating cardiovascular diseases CYP46A1, REN, CYP11B2 SLC6A2 1559/4885SLC6A4 3069/4885CRHBP 2331/4885

“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.