SCHEMBL6721895

SCHEMBL6721895

CC([S])C(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.43
MIF P14174 2/20 0.43
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
TSHR P16473 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
SCHEMBL908216 0.82 TAAR1 (0.50) TAAR1MIFADRA2AADRA2CCYP2D6
SCHEMBL19519886 0.77 TAAR1 (0.48) TAAR1MIFADRA2AADRA2CCYP2D6
SCHEMBL599878 0.77 TAAR1 (0.48) TAAR1MIFADRA2AADRA2CCYP2D6
SCHEMBL329800 0.77
SCHEMBL2844548 0.74 TAAR1 (0.44) TAAR1MIFADRA2AADRA2CCYP2D6
Ammonia Solution, Strong SCHEMBL7513659 0.74 TAAR1 (0.46) TAAR1MIFADRA2AADRA2CCYP2D6
SCHEMBL1973389 0.74 TAAR1 (0.44) TAAR1MIFADRA2AADRA2CCYP2D6
SCHEMBL17504546 0.74 ADRA2A (0.54) TAAR1ADRA2AADRA2CCYP2D6LMNA
SCHEMBL23626333 0.72 LMNA (0.52) ADRA2AADRA2CCYP2D6LMNAHIF1A
SCHEMBL8889599 0.72 LMNA (0.52) ADRA2AADRA2CCYP2D6LMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
EP-1218350-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
EP-1187819-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
EP-1187820-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
WO-2002020531-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
EP-1127053-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000026194-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed
EP-0998468-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
WO-2000023413-A1 METHOD FOR DRYING PHENOXYMETHYLBENZOIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2000-04-27 WO disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1999005130-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 TAAR1 1548/4885MIF 4814/4885ADRA2A 1636/4885

“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.