SCHEMBL1968507

SCHEMBL1968507

[CH]1CCCCN1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 5/20 0.35
CYP1A2 P05177 4/20 0.35
CYP2D6 P10635 4/20 0.35
CYP2C9 P11712 4/20 0.35
KCNA5 P22460 4/20 0.35
CYP2C19 P33261 4/20 0.35
KCNH2 Q12809 4/20 0.35
LMNA P02545 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR3A P46098 1/20 0.35

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
SCHEMBL4164157 0.93 SIGMAR1 (0.38) L3MBTL1MBTD1L3MBTL3SIGMAR1NPC1
SCHEMBL207223 0.80 CHKA (0.56) L3MBTL1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL8375652 0.78 MBTD1 (0.40) L3MBTL1MBTD1L3MBTL3SIGMAR1NPC1
SCHEMBL3116626 0.75 PLD1 (0.46) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL11611267 0.72 L3MBTL1 (0.36) L3MBTL1MBTD1L3MBTL3SIGMAR1NPC1
SCHEMBL3153767 0.71 MAPT (0.40) L3MBTL1MBTD1L3MBTL3SIGMAR1NPC1
SCHEMBL9984447 0.68 PLD1 (0.47) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL12485 0.67 L3MBTL1 (0.61) L3MBTL1MBTD1L3MBTL3SIGMAR1NPC1
SCHEMBL18228234 0.67 L3MBTL1 (0.61) L3MBTL1MBTD1L3MBTL3SIGMAR1NPC1
SCHEMBL2646639 0.67 SORD (0.40) L3MBTL1LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334683-B1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS MSD ITALIA SRL (IT) 2017-03-22 EP disclosed
CN-103270017-A Process for the synthesis of chiral propargylic alcohols LONZA AG 2013-08-28 CN disclosed
CN-103249724-A Process for the synthesis of cyclic carbamates LONZA AG 2013-08-14 CN disclosed
CN-103249725-A Process for the synthesis of cyclic carbamates LONZA AG 2013-08-14 CN disclosed
US-8470823-B2 Saturated bicyclic heterocyclic derivatives as SMO antagonists INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-06-25 US disclosed
US-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Instituto di Ricerche di Biologia Molecolare P. Ang 2011-07-28 US disclosed
EP-2334683-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2011-06-22 EP disclosed
WO-2010023480-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-03-04 WO disclosed
CN-1980929-A 4-substituted piperidine derivatives BIOAXONE THERAPEUTIQUE INC (CA) 2007-06-13 CN disclosed
WO-2006105056-A2 INSECTICIDAL 2,4-DIAMINOQUINAZOLINES AND RELATED DERIVATIVES FMC CORPORATION (US) 2006-10-05 WO disclosed
US-4739066-A HYPOTENSIVE AGENTS, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-19 US disclosed
US-4638000-A HYPOTENSIVES, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-01-20 US disclosed
US-4591458-A ENZYME INHIBITORS; HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-05-27 US disclosed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US disclosed
EP-0156455-A2 Condensed seven-membered ring compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-02 EP disclosed
EP-0135349-A1 Condensed seven-membered ring compounds and their production and use Takeda Chemical Industries, Ltd. (JP) 1985-03-27 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-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS SMO, SHH, GLI1 L3MBTL1 2984/4885MBTD1 243/4885L3MBTL3 3779/4885

“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.