SCHEMBL3193152

SCHEMBL3193152

N[C]1CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.54
NOS3 P29474 3/20 0.50
NOS2 P35228 2/20 0.50
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
DYRK1A Q13627 1/20 0.46
ADORA1 P30542 1/20 0.44
CYP2A6 P11509 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SETD7 Q8WTS6 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
TSHR P16473 1/20 0.41
NOS1 P29475 1/20 0.41
TYMS P04818 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL20762261 0.86 CES1 (0.56) CES1NOS3NOS2KDM4EALDH1A1
SCHEMBL3118192 0.85 CYP2A6 (0.56) CES1NOS3NOS2KDM4EALDH1A1
Dihydrophenanthrene SCHEMBL30297028 0.80 CES1 (0.68) CES1NOS3NOS2KDM4EALDH1A1
Dihydrophenanthrene SCHEMBL155991 0.80 CES1 (0.68) CES1NOS3NOS2KDM4EALDH1A1
Dihydrophenanthrene SCHEMBL29404495 0.80 CES1 (0.68) CES1NOS3NOS2KDM4EALDH1A1
SCHEMBL30436624 0.77 CES1 (0.65) CES1NOS3NOS2KDM4EALDH1A1
Dihydrophenanthrene SCHEMBL28858771 0.77 CES1 (0.65) CES1NOS3NOS2KDM4EALDH1A1
Dihydrophenanthrene SCHEMBL28876918 0.77 CES1 (0.65) CES1NOS3NOS2KDM4EALDH1A1
Dihydrophenanthrene SCHEMBL27973960 0.77 CES1 (0.65) CES1NOS3NOS2ADORA1CYP2A6
Dihydrophenanthrene SCHEMBL27560594 0.77 CES1 (0.65) CES1NOS3NOS2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0578745-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1994-01-19 EP claimed
WO-1992017490-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1992-10-15 WO claimed
US-7674827-B2 Indanyl- and tetrahydronaphtyl-amino-thiourea compounds for combating animal pests BASF SE (DE) 2010-03-09 US disclosed
US-20090075819-A1 Indanyl- and Tetrahydronaphtyl-amino-thiourea Compounds for Combating Animal Pests BASF SE (DE) 2009-03-19 US disclosed
EP-1957447-A1 INDANYL-AND TETRAHYDRONAPHTYL-AMINO-THIOUREA COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-08-20 EP disclosed
WO-2007060120-A1 INDANYL-AND TETRAHYDRONAPHTYL-AMINO-THIOUREA COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2007-05-31 WO disclosed
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
EP-0578745-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1994-01-19 EP disclosed
WO-1992017490-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1992-10-15 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 (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-20090075819-A1 Indanyl- and Tetrahydronaphtyl-amino-thiourea Compounds for Combating Animal Pests AHCYL1, AHCY, TST CES1 2545/4885NOS3 796/4885NOS2 475/4885

“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.