SCHEMBL4447269

SCHEMBL4447269

CCCCCC(Cl)CCCCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.43
DNM1 Q05193 2/20 0.43
TP53 P04637 1/20 0.42
FDPS P14324 4/20 0.40
ALDH1A1 P00352 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
SPHK1 Q9NYA1 1/20 0.39
FFAR1 O14842 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL28501282 0.97 TSHR (0.50) OPRM1TSHRTHRBLMNADNM1
SCHEMBL28474884 0.97 TSHR (0.50) OPRM1TSHRTHRBLMNADNM1
SCHEMBL28346982 0.97 TSHR (0.50) OPRM1TSHRTHRBLMNADNM1
SCHEMBL18722590 0.97 TSHR (0.50) OPRM1TSHRTHRBLMNADNM1
SCHEMBL13451749 0.97 DNM1 (0.48) OPRM1TSHRTHRBLMNADNM1
SCHEMBL23951461 0.97 TSHR (0.50) OPRM1TSHRTHRBLMNADNM1
SCHEMBL2854096 0.97 DNM1 (0.48) OPRM1TSHRTHRBLMNADNM1
SCHEMBL2892345 0.97 TSHR (0.50) OPRM1TSHRTHRBLMNADNM1
SCHEMBL30232622 0.97 TSHR (0.50) OPRM1TSHRTHRBLMNADNM1
SCHEMBL31596116 0.97 TSHR (0.50) OPRM1TSHRTHRBLMNADNM1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399318-A1 RENEWABLE OILS: COMPOSITION, PROCESS OF MAKING AND FORMULATION RiKarbon, Inc (US) 2023-12-14 US disclosed
EP-3116722-B1 METHOD AND APPARATUS FOR PRODUCING A CUSTOM SIZED CANVAS STRETCHER FRAME SIEGEL MARVIN (US) 2020-05-27 EP disclosed
CN-110408266-A Inorganic nano material prints ink and its preparation method and application TCL CORP 2019-11-05 CN disclosed
EP-1493744-B1 Tropane analogs and methods for inhibition of monoamine transport ORGANIX INC (US) 2009-11-25 EP disclosed
US-7553897-B2 Organic thiol stabilizers and plasticizers for halogen-containing polymers COLLEGE OF WILLIAM AND MARY (US) 2009-06-30 US disclosed
US-20090005389-A1 2,5 Diaza-Bicyclo [2.2.1] Heptane Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2009-01-01 US disclosed
EP-1978963-A2 2,5 DIAZA-BICYCLOÝ2.2.1¨HEPTANE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2008-10-15 EP disclosed
WO-2007084394-A2 2,5 DIAZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2007-07-26 WO disclosed
US-20070161728-A1 Organic Thiol Stabilizers and Plasticizers for Halogen-Containing Polymers COLLEGE OF WILLIAM AND MARY (US) 2007-07-12 US disclosed
US-6852867-B2 Process for preparation of a benzofuran derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-08 US disclosed
US-6353105-B1 INHIBITORS OF 5-HYDROXY-TRYPTAMINE REUPTAKE OF A MONOAMINE TRANSPORTER; ANALOGS OF COCAINE; ORGANIX, INC. 2002-03-05 US disclosed
US-20020010207-A1 Tropane analogs and methods for inhibition of monoamine transport WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2002-01-24 US disclosed
EP-0812820-B1 TRIPHENYLAMINE DERIVATIVES, AND CHARGE TRANSPORT MATERIAL AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR PREPARED THEREFROM TAKASAGO PERFUMERY CO LTD (JP) 2001-01-17 EP disclosed
US-6172264-B1 REACTING A TRIPHENYLAMINE WITH A VILSMEIER IN PRESENCE OF ACID CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-01-09 US disclosed
EP-0996619-A1 TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT ORGANIX, INC. (US) 2000-05-03 EP disclosed
US-5989765-A CHARGE TRANSPORT MATERIAL IS A TRIPHENYLAMINE DERIVATIVE WHERE ONE OF THE PHENYL GROUPS OF THE TRIPHENYL AMINE HAS A DIPHENYLBUTADIENYL-SUBSTITUENT AND THE OTHER TWO PHENYL GROUPS HAVE A DIPHENYLBUTADIENYL- OR DIPHENYLVINYL-FRAMEWORK TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-11-23 US disclosed
US-5948933-A THERAPY FOR DRUG ABRUSE ORGANIX, INC. (US) 1999-09-07 US disclosed
US-5910610-A Triphenylamine derivative, charge-transporting material comprising the same, and electrophotographic photoreceptor TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-06-08 US disclosed
WO-1999002526-A1 TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT ORGANIX, INC. (US) 1999-01-21 WO disclosed
EP-0812820-A1 TRIPHENYLAMINE DERIVATIVES, AND CHARGE TRANSPORT MATERIAL AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR PREPARED THEREFROM Takasago International Corporation (JP) 1997-12-17 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 (3 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-20090005389-A1 2,5 Diaza-Bicyclo [2.2.1] Heptane Derivatives as Calcium Channel Blockers TRPV1, CACNA1D, CACNA1S OPRM1 722/4885TSHR 3059/4885THRB 1576/4885
US-20020010207-A1 Tropane analogs and methods for inhibition of monoamine transport SLC6A2, SLC6A4, SLC6A3 OPRM1 110/4885TSHR 510/4885THRB 436/4885
US-20230399318-A1 RENEWABLE OILS: COMPOSITION, PROCESS OF MAKING AND FORMULATION CBR1, CBR3, AKR1C3 OPRM1 2515/4885TSHR 1547/4885THRB 1254/4885

“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.