SCHEMBL18036632

SCHEMBL18036632

O=C(N1CCN(c2ccccc2OCC(F)(F)F)CC1)C(Cl)(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
ADRA1A P35348 8/20 0.46
ADRA1B P35368 8/20 0.46
ADRA1D P25100 7/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
ENPP2 Q13822 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL18036657 0.89 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2L3MBTL1KMT2ALMNA
SCHEMBL5240191 0.86 L3MBTL1 (0.49) SMN1; SMN2L3MBTL1ADRA1AADRA1BADRA1D
SCHEMBL7961982 0.85 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1ADRA1AADRA1B
Hydrochloric Acid SCHEMBL28299875 0.81 SLC6A9 (0.47) ALDH1A1SMN1; SMN2ADRA1AADRA1BADRA1D
SCHEMBL18036644 0.81 SLC6A9 (0.47) ALDH1A1SMN1; SMN2ADRA1AADRA1BADRA1D
SCHEMBL6184895 0.80 AKR1C3 (0.61) ALDH1A1SMN1; SMN2L3MBTL1KMT2ALMNA
SCHEMBL7835975 0.80 RAB9A (0.46) ALDH1A1L3MBTL1ADRA1AADRA1BADRA1D
SCHEMBL24712880 0.77 DRD2 (0.59) ALDH1A1ADRA1AADRA1BADRA1DCYP3A4
SCHEMBL5473619 0.77 SLC6A2 (0.62) ADRA1AADRA1BADRA1DLMNACYP3A4
SCHEMBL5234580 0.76 GAA (0.46) ALDH1A1SMN1; SMN2L3MBTL1ADRA1AADRA1B

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
EP-3083588-B1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO LTD (CN) 2020-12-09 EP disclosed
US-9663498-B2 Aromatic heterocyclic compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-30 US disclosed
US-20160251339-A1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-09-01 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-20160251339-A1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS MAPT, APP, PSEN1 ALDH1A1 1342/4885SMN1; SMN2 663/4885L3MBTL1 4730/4885

“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.