SCHEMBL270639

SCHEMBL270639

CCCCCN(C=S)CCCCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 4/20 0.37
THRB P10828 1/20 0.37
MGLL Q99685 1/20 0.35
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
GBA1 P04062 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30

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
SCHEMBL4602011 0.97 DNM1 (0.48) DNM1CA12CA1CA2CA9
SCHEMBL270407 0.97 DNM1 (0.48) DNM1CA12CA1CA2CA9
SCHEMBL271649 0.97 DNM1 (0.48) DNM1CA12CA1CA2CA9
SCHEMBL269573 0.97 DNM1 (0.42) DNM1CA12CA1CA2CA9
SCHEMBL271233 0.95 DNM1 (0.46) DNM1CA12CA1CA2CA9
SCHEMBL270747 0.95 DNM1 (0.40) DNM1CA12CA1CA2CA9
SCHEMBL269626 0.93 DNM1 (0.44) DNM1CA12CA1CA2CA9
SCHEMBL269464 0.92 ALDH1A1 (0.37) DNM1CA12CA1CA2CA9
SCHEMBL269999 0.90 DNM1 (0.40) DNM1CA12CA1CA2CA9
SCHEMBL271652 0.87 DNM1 (0.44) DNM1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415347-B2 Substituted tetracyclic tetahydrofuran, pyrrolidine and tetrahydrothiophene derivatives JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US claimed
US-8404729-B2 Heterocyclic tetracyclic tetrahydrofuran derivatives JANSSEN PHARMACEUTICA, NV (BE) 2013-03-26 US claimed
US-20120238563-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CID-NUNEZ JOSE MARIA (ES) 2012-09-20 US claimed
US-20120035170-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES NUNEZ JOSE MARIA (ES) 2012-02-09 US claimed
JP-4823221-B2 2011-11-24 JP claimed
US-8022102-B2 Unsaturated tetracyclic tetrahydrofuran derivatives JANSSEN PHARMACEUTICA, NV (BE) 2011-09-20 US claimed
US-20110144094-A1 HETEROCYCLIC TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CID-NUNEZ JOSE MARIA 2011-06-16 US claimed
US-7915249-B2 serotonin 5-HT2A, 5-HT2C and dopamin D2 receptors antagonist, and norepinephrine reuptake inhibitor; antidepressant, anxiolytic agent; psychosis, schizophrenia, bipolar and sexual disorders, obesity JANSSEN PHARMACEUTICAL NV (BE) 2011-03-29 US claimed
US-20100331325-A1 NOVEL SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN, PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES CID-NUNEZ JOSE MARIA 2010-12-30 US claimed
US-7799785-B2 Substituted tetracyclic tetahydrofuran, pyrrolidine and tetrahydrothiophene derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-09-21 US claimed
WO-2006000555-A2 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 WO claimed
JP-2002501515-A 2002-01-15 JP claimed
US-6313344-B1 PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-06 US claimed
EP-0984923-A1 O-BENZYL OXIME ETHERS AND THEIR USE AS PESTICIDES Novartis AG (CH) 2000-03-15 EP claimed
WO-1998054125-A1 O-BENZYL OXIME ETHERS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 1998-12-03 WO claimed
EP-0701553-B1 ARYLPYRAZOLE FUNGICIDES RHONE POULENC AGROCHIMIE (FR) 1997-10-01 EP claimed
EP-0769905-A1 FUNGICIDAL COMPOSITIONS CONTAINING 3-PHENYL-PYRAZOLE DERIVATIVES FOR TREATING PROPAGATIVE PLANT STOCK, NOVEL 3-PHENYL-PYRAZOLE DERIVATIVES, AND FUNGICIDAL USES THEREOF RHONE-POULENC AGROCHIMIE (FR) 1997-05-02 EP claimed
EP-0701553-A1 ARYLPYRAZOLE FUNGICIDES RHONE POULENC AGROCHIMIE (FR) 1996-03-20 EP claimed
WO-1996002138-A1 FUNGICIDAL COMPOSITIONS CONTAINING 3-PHENYL-PYRAZOLE DERIVATIVES FOR TREATING PROPAGATIVE PLANT STOCK, NOVEL 3-PHENYL-PYRAZOLE DERIVATIVES, AND FUNGICIDAL USES THEREOF RHONE POULENC AGROCHIMIE (FR) 1996-02-01 WO claimed
WO-1994029276-A1 ARYLPYRAZOLE FUNGICIDES RHONE POULENC AGROCHIMIE (FR) 1994-12-22 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120035170-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES HTR2C, HTR2A, HTR1A DNM1 2115/4885CA12 4669/4885CA1 4149/4885
US-20100331325-A1 NOVEL SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN, PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES HTR2C, TPH2, HTR2A DNM1 1693/4885CA12 4625/4885CA1 3970/4885
US-20110144094-A1 HETEROCYCLIC TETRACYCLIC TETRAHYDROFURAN DERIVATIVES HTR2C, HTR2A, HTR5A DNM1 1560/4885CA12 4409/4885CA1 3599/4885
US-20120238563-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES HTR2C, HTR2A, HTR1A DNM1 2115/4885CA12 4669/4885CA1 4149/4885

“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.