SCHEMBL8207792

SCHEMBL8207792

C[C@H](N)c1cccc(Cl)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
NFKB1 P19838 1/20 1.00
LMNA P02545 2/20 0.96
ALDH1A1 P00352 1/20 0.96
GLA P06280 1/20 0.96
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
TSHR P16473 1/20 0.39
PDCD1LG2 Q9BQ51 3/20 0.39
CD274 Q9NZQ7 3/20 0.39
CFD P00746 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 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
SCHEMBL8207165 1.00 PNMT (1.00) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL158333 1.00 PNMT (1.00) PNMTCYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL1321451 0.98 LMNA (1.00) PNMTCYP1A2CYP3A4CYP2D6NFKB1
Methylamine SCHEMBL6500291 0.82 PNMT (0.69) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL29668896 0.81 CYP3A4 (0.68) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL423182 0.81 CYP1A2 (0.68) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL22801396 0.81 CYP1A2 (0.68) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL703283 0.81 CYP3A4 (0.68) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL9985739 0.81 CYP3A4 (0.68) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL4706452 0.81 CYP3A4 (0.68) PNMTCYP1A2CYP3A4CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390355-B1 BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2022-12-28 EP disclosed
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2017-09-28 US disclosed
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2017-09-28 US disclosed
WO-2017162390-A1 BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2017-09-28 WO disclosed
US-6093851-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-25 US disclosed
EP-0735018-B1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL CO (JP) 1999-07-21 EP disclosed
US-5739401-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0735018-A1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP 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-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof UTS2R, GHSR, GRPR PNMT 819/4885CYP1A2 3972/4885CYP3A4 4294/4885

“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.