SCHEMBL17962288

SCHEMBL17962288

O=C(c1cccc(Cl)c1Cl)N1CCC(S(=O)(=O)c2ccc(OCc3ccccc3)c3ncccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ COMT P21964 2/20 0.42
▸ MGLL Q99685 2/20 0.41
▸ CCR8 P51685 1/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RORC P51449 2/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KDM4E B2RXH2 2/20 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
SCHEMBL17973865 0.84 COMT (0.60) MAPTLMNAGAACOMTMGLL
SCHEMBL17962313 0.81 CCR8 (0.49) MAPTLMNASMN1; SMN2COMTCCR8
SCHEMBL17962390 0.76 LMNA (0.54) MAPTLMNASMN1; SMN2GAACOMT
SCHEMBL17962405 0.76 COMT (0.48) MAPTLMNASMN1; SMN2COMTCYP2C19
SCHEMBL17962347 0.70 SLC40A1 (0.54) MAPTLMNASMN1; SMN2GAACYP2C19
SCHEMBL17960047 0.70 SLC40A1 (0.54) MAPTLMNASMN1; SMN2GAACYP2C19
SCHEMBL17962340 0.69 COMT (0.60) MAPTLMNASMN1; SMN2GAACOMT
SCHEMBL30574416 0.69 COMT (0.60) MAPTLMNASMN1; SMN2GAACOMT
SCHEMBL17960023 0.68 COMT (0.63) MAPTLMNASMN1; SMN2COMTCYP2C19
SCHEMBL17962321 0.67 SLC40A1 (0.53) MAPTLMNASMN1; SMN2GAACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 — — EP disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 — — US disclosed
US-20180305360-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2018-10-25 — — US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US disclosed
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 — — EP disclosed
WO-2016123576-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 — — WO disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — 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 (4 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-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA MAPT 1246/4885LMNA 4344/4885SMN1; SMN2 603/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA MAPT 1246/4885LMNA 4344/4885SMN1; SMN2 603/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA MAPT 1246/4885LMNA 4344/4885SMN1; SMN2 603/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA MAPT 1246/4885LMNA 4344/4885SMN1; SMN2 603/4885

“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.

Send feedback