SCHEMBL3673292

SCHEMBL3673292

CN(C)Cc1ccc(-c2ccc(C(=O)c3ccc(Br)cc3)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.51
▸ HSD17B1 P14061 1/20 0.46
▸ HSD17B2 P37059 1/20 0.46
▸ SRD5A2 P31213 2/20 0.46
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ CHUK O15111 1/20 0.40
▸ INSR P06213 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ CAMKK2 Q96RR4 1/20 0.40
▸ ACHE P22303 4/20 0.40
▸ BCHE P06276 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 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
Hydrochloric Acid SCHEMBL8049541 0.99 LSS (0.52) LSSHSD17B1HSD17B2SRD5A2SLC6A2
SCHEMBL3682987 0.85 LSS (0.75) LSSHSD17B1HSD17B2SRD5A2ACHE
SCHEMBL9151599 0.84 LSS (0.68) LSSSRD5A2ACHEBCHEHRH3
Hydrochloric Acid SCHEMBL9151252 0.82 LSS (0.68) LSSSRD5A2ACHEBCHEHRH3
SCHEMBL8052758 0.81 SRD5A2 (0.52) HSD17B1HSD17B2SRD5A2MEN1MAPK1
SCHEMBL3678885 0.81 SLC6A2 (0.57) LSSSRD5A2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8052861 0.80 SLC6A2 (0.56) LSSSRD5A2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9442703 0.74 HRH3 (0.65) LSSACHEBCHEHRH3HDAC6
SCHEMBL9154780 0.74 LSS (0.53) LSSSRD5A2HRH3HDAC6TAAR1
SCHEMBL25137173 0.74 HRH3 (0.56) LSSACHEBCHEHRH3HDAC6

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 LSS 2247/4885HSD17B1 1216/4885HSD17B2 1748/4885

“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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