SCHEMBL12004655

SCHEMBL12004655

CC(NC(=O)N(C)C1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 6/20 0.50
▸ HTR2C P28335 6/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ HTT P42858 1/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ CCR5 P51681 6/20 0.41
▸ PHGDH O43175 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL12075520 0.84 CCR5 (0.43) HTR2AHTR2CHTTCCR5MAPT
SCHEMBL12005166 0.84 GAA (0.50) HTR2AHTR2CL3MBTL1HTTMCHR1
SCHEMBL12005036 0.79 CCR5 (0.50) HTR2AHTR2CHTTCCR5
SCHEMBL12004803 0.77 NPY5R (0.47) HTR2AHTR2CHTTCCR5MAPT
SCHEMBL12004406 0.77 HTR2A (0.48) HTR2AHTR2CHTTCCR5MAPT
SCHEMBL12006140 0.76 HTT (0.56) HTR2AHTR2CHTTCCR5MAPT
SCHEMBL18686195 0.76 HTR2A (0.50) HTR2AHTR2CL3MBTL1HTTCCR5
SCHEMBL18686204 0.75 GHSR (0.54) HTR2AHTT
SCHEMBL12004926 0.74 GHSR (0.61) HTR2AHTR2CHTTMCHR1CCR5
SCHEMBL12004560 0.74 GHSR (0.51) HTR2AHTR2CHTTMCHR1CCR5

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2018-02-15 — — US claimed
US-9751836-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA (CH) 2017-09-05 — — US claimed
EP-2678017-B1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2017-04-05 — — EP claimed
US-20140121210-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2014-05-01 — — US claimed
US-8658797-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA (CH) 2014-02-25 — — US claimed
US-20120220629-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2012-08-30 — — US claimed
US-10407390-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA 2019-09-10 — — US disclosed
US-10407390-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA 2019-09-10 — — US disclosed
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2018-02-15 — — US disclosed
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2018-02-15 — — US disclosed
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2018-02-15 — — US disclosed
US-9751836-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA (CH) 2017-09-05 — — US disclosed
US-9751836-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA (CH) 2017-09-05 — — US disclosed
EP-2678017-B1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2017-04-05 — — EP disclosed
US-20140121210-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2014-05-01 — — US disclosed
US-8658797-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA (CH) 2014-02-25 — — US disclosed
US-8658797-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA (CH) 2014-02-25 — — US disclosed
US-8658797-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA (CH) 2014-02-25 — — US disclosed
US-20120220629-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2012-08-30 — — US disclosed
US-20120220629-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2012-08-30 — — 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-20120220629-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GPR119, GHSR HTR2A 619/4885HTR2C 840/4885L3MBTL1 4196/4885
US-10407390-B2 Asymmetric ureas and medical uses thereof UTS2R, GPR119, GHSR HTR2A 619/4885HTR2C 840/4885L3MBTL1 4196/4885
US-20140121210-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GPR119, GHSR HTR2A 619/4885HTR2C 840/4885L3MBTL1 4196/4885
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GPR119, GHSR HTR2A 619/4885HTR2C 840/4885L3MBTL1 4196/4885

“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.

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