SCHEMBL1900874

SCHEMBL1900874

CC(C)([NH])Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
CYP2D6 P10635 2/20 0.54
LMNA P02545 1/20 0.54
TRPA1 O75762 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TP53 P04637 1/20 0.43
CYP3A4 P08684 2/20 0.43
PRMT1 Q99873 1/20 0.43
MAOB P27338 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
CALM1 P0DP23 1/20 0.41
ALDH1A1 P00352 2/20 0.40
FDPS P14324 1/20 0.40
TSHR P16473 1/20 0.39
KCNA5 P22460 1/20 0.38

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
SCHEMBL8586071 0.84 SLC6A2 (0.58) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL8121696 0.79 SLC6A2 (0.58) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL94458 0.79 SLC6A2 (0.58) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL7666090 0.79 SLC6A2 (0.58) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL8635078 0.78 TAAR1 (0.52) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL1572105 0.78 SLC6A2 (0.64) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL347187 0.78 SLC6A2 (0.64) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL8851001 0.77 IDO1 (0.44) SLC6A2TAAR1CYP1A2SMN1; SMN2TSHR
SCHEMBL10739462 0.77 SLC6A2 (0.56) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL4661772 0.76 SLC6A2 (0.61) SLC6A2TAAR1CYP2D6LMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144384-B1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2007-10-31 EP claimed
EP-3252120-B1 ANTIFOULING COMPOSITION, ANTIFOULING SHEET, AND METHOD FOR MANUFACTURING ANTIFOULING SHEET LINTEC CORP (JP) 2019-08-21 EP disclosed
US-10190022-B2 Antifouling composition, antifouling sheet, and method for manufacturing antifouling sheet LINTEC CORPORATION (JP) 2019-01-29 US disclosed
US-20180010011-A1 ANTIFOULING COMPOSITION, ANTIFOULING SHEET, AND METHOD FOR MANUFACTURING ANTIFOULING SHEET LINTEC CORPORATION (JP) 2018-01-11 US disclosed
EP-3252120-A1 ANTIFOULING COMPOSITION, ANTIFOULING SHEET, AND METHOD FOR MANUFACTURING ANTIFOULING SHEET LINTEC Corporation (JP) 2017-12-06 EP disclosed
US-8766243-B2 Heterocycle-containing asymmetric aromatic compound, compound for organic thin film transistor, and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-01 US disclosed
US-8759590-B2 Indenopyrene compound, organic thin film solar cell material using the same, and organic thin film solar cell IDEMITSU KOSAN CO., LTD. (JP) 2014-06-24 US disclosed
US-20130180590-A1 PHENANTHROLINE COMPOUND, ELECTRON TRANSPORT MATERIAL OBTAINED FROM SAID COMPOUND, AND ORGANIC THIN-FILM SOLAR CELL COMPRISING SAID COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2013-07-18 US disclosed
EP-2599780-A1 PHENANTHROLINE COMPOUND, ELECTRON TRANSPORT MATERIAL OBTAINED FROM SAID COMPOUND, AND ORGANIC THIN-FILM PHOTOVOLTAIC CELL COMPRISING SAID COMPOUND Idemitsu Kosan Co., Ltd. (JP) 2013-06-05 EP disclosed
EP-2530070-A1 DIBENZOFLUORANTHENE COMPOUND AND ORGANIC THIN-FILM SOLAR CELL USING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-12-05 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
US-5302621-A Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO COMPANY, LIMITED (JP) 1994-04-12 US disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0484094-A2 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use Sankyo Company Limited (JP) 1992-05-06 EP disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4600705-A Gonadoliberin derivatives containing a β-aspartyl group, a process for the preparation thereof and pharmaceutical preparations containing them Richter Gedeon Veyteszeti Gyar R.T. (HU) 1986-07-15 US 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-20130180590-A1 PHENANTHROLINE COMPOUND, ELECTRON TRANSPORT MATERIAL OBTAINED FROM SAID COMPOUND, AND ORGANIC THIN-FILM SOLAR CELL COMPRISING SAID COMPOUND SLC43A1, SLC7A5, SLC9A2 SLC6A2 226/4885TAAR1 4217/4885CYP2D6 1865/4885

“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.