SCHEMBL3678885

SCHEMBL3678885

CN(C)Cc1ccc(-c2ccc(C(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.57
▸ SLC6A4 P31645 3/20 0.57
▸ SLC6A3 Q01959 3/20 0.57
▸ SRD5A2 P31213 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.50
▸ TAAR1 Q96RJ0 2/20 0.48
▸ LSS P48449 2/20 0.45
▸ MCHR1 Q99705 2/20 0.45
▸ S1PR2 O95136 1/20 0.45
▸ S1PR3 Q99500 1/20 0.45
▸ ACHE P22303 2/20 0.45
▸ BCHE P06276 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ PPARG P37231 1/20 0.43

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
Hydrochloric Acid SCHEMBL8052861 0.99 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3SRD5A2HRH3
Hydrochloric Acid SCHEMBL9442703 0.84 HRH3 (0.65) HRH3TAAR1LSSMCHR1ACHE
SCHEMBL3675147 0.83 LSS (0.70) SLC6A2SLC6A4SLC6A3SRD5A2LSS
Hydrochloric Acid SCHEMBL8049750 0.82 LSS (0.70) SLC6A2SLC6A4SLC6A3SRD5A2LSS
SCHEMBL3673292 0.81 LSS (0.51) SLC6A2SLC6A4SLC6A3SRD5A2HRH3
SCHEMBL25137173 0.80 HRH3 (0.56) HRH3TAAR1LSSMCHR1ACHE
Hydrochloric Acid SCHEMBL8049541 0.80 LSS (0.52) SLC6A2SLC6A4SLC6A3SRD5A2HRH3
SCHEMBL8047821 0.80 SRD5A2 (0.57) SLC6A2SLC6A4SLC6A3SRD5A2HDAC1
SCHEMBL19389734 0.79 LSS (0.58) SRD5A2HRH3TAAR1LSSACHE
Hydrochloric Acid SCHEMBL9148032 0.79 SRD5A2 (0.55) SLC6A2SLC6A4SLC6A3SRD5A2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 — — EP claimed
EP-0636367-A1 Use of phenylalkylamines for producing cholesterol lowering agents F. HOFFMANN-LA ROCHE AG (CH) 1995-02-01 — — EP claimed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 — — US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 — — WO disclosed
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 — — EP disclosed
US-5637771-A Compound useful for lowering cholesterol HOFFMANN-LA ROCHE INC. (US) 1997-06-10 — — US disclosed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 — — US disclosed
US-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 — — US disclosed
EP-0636367-A1 Use of phenylalkylamines for producing cholesterol lowering agents F. HOFFMANN-LA ROCHE AG (CH) 1995-02-01 — — 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-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 SLC6A2 4758/4885SLC6A4 4825/4885SLC6A3 4742/4885

“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