SCHEMBL12005036

SCHEMBL12005036

CC(NC(=O)N(C)C1CCN(C)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 2/20 0.50
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ GHSR Q92847 10/20 0.46
▸ NPY5R Q15761 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42

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
SCHEMBL18686204 0.88 GHSR (0.54) HTTSMN1; SMN2GHSRHTR2A
SCHEMBL12005166 0.87 GAA (0.50) CCR5HTTSMN1; SMN2GHSRNPY5R
SCHEMBL12006140 0.85 HTT (0.56) CCR5HTTALDH1A1SMN1; SMN2GHSR
SCHEMBL12075520 0.82 CCR5 (0.43) CCR5HTTLMNAGHSRHTR2A
SCHEMBL12004800 0.81 GHSR (0.57) GHSR
SCHEMBL12004406 0.81 HTR2A (0.48) CCR5HTTGHSRNPY5RHTR2A
SCHEMBL12004926 0.81 GHSR (0.61) CCR5HTTGHSRHTR2AHTR2C
SCHEMBL12004803 0.80 NPY5R (0.47) CCR5HTTNPY5RHTR2AHTR2C
SCHEMBL12075301 0.80 GHSR (0.53) GHSR
SCHEMBL12004655 0.79 HTR2A (0.50) CCR5HTTHTR2AHTR2C

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 23 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
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-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
WO-2012113103-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE S.A. (CH) 2012-08-30 — — WO disclosed
WO-2012116176-A2 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2012-08-30 — — WO 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 CCR5 3085/4885HTT 784/4885ALDH1A1 1976/4885
US-10407390-B2 Asymmetric ureas and medical uses thereof UTS2R, GPR119, GHSR CCR5 3085/4885HTT 784/4885ALDH1A1 1976/4885
US-20140121210-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GPR119, GHSR CCR5 3085/4885HTT 784/4885ALDH1A1 1976/4885
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GPR119, GHSR CCR5 3085/4885HTT 784/4885ALDH1A1 1976/4885

“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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