SCHEMBL1502120

SCHEMBL1502120

CC(=O)NCC1CN(Cc2ccccc2)CCO1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.59
DRD2 P14416 2/20 0.55
DRD3 P35462 2/20 0.55
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
EPHX2 P34913 1/20 0.52
CCR3 P51677 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47

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
SCHEMBL12759031 0.93 ALDH1A1 (0.53) DRD4DRD2DRD3ALDH1A1CYP1A2
SCHEMBL2769124 0.90 DRD4 (0.61) DRD4DRD2DRD3ALDH1A1CYP1A2
SCHEMBL5429645 0.90 DRD4 (0.61) DRD4DRD2DRD3ALDH1A1CYP1A2
SCHEMBL2770194 0.90 DRD4 (0.61) DRD4DRD2DRD3ALDH1A1CYP1A2
SCHEMBL7370883 0.88 LMNA (0.58) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL1810572 0.86 CCR3 (0.67) DRD4DRD3ALDH1A1CYP1A2CYP3A4
SCHEMBL1810573 0.86 CCR3 (0.67) DRD4DRD3ALDH1A1CYP1A2CYP3A4
SCHEMBL30211803 0.86 CCR3 (0.67) DRD4DRD3ALDH1A1CYP1A2CYP3A4
SCHEMBL8327676 0.86 DRD4 (0.64) DRD4DRD2DRD3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL30211801 0.85 CCR3 (0.66) DRD4DRD3ALDH1A1CYP1A2CYP3A4

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
CN-102015697-B Amide derivatives and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO 2015-06-17 CN disclosed
EP-2256114-B1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2014-06-25 EP disclosed
CN-102015697-A Amide derivatives and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO 2011-04-13 CN disclosed
US-7906510-B2 Amide derivative and pharmaceutical composition containing the same Dainippon Sumito Pharma Co., Ltd. (JP) 2011-03-15 US disclosed
US-7906510-B2 Amide derivative and pharmaceutical composition containing the same Dainippon Sumito Pharma Co., Ltd. (JP) 2011-03-15 US disclosed
EP-2256114-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-12-01 EP disclosed
US-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Sumitomo Pharma Co., Ltd. (JP) 2010-09-30 US disclosed
US-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Sumitomo Pharma Co., Ltd. (JP) 2010-09-30 US disclosed
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0774460-A1 BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-05-21 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0243959-B1 SUBSTITUTED BENZAMIDE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-08-19 EP disclosed
US-4870074-A Substituted benzamide derivatives, for enhancing gastrointestinal motility DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US disclosed
EP-0243959-A1 Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-04 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 (2 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-20070060629-A1 Large conductance calcium-activated k channel opener KCNN3, KCNN1, KCNN2 DRD4 3261/4885DRD2 3043/4885DRD3 2242/4885
US-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HTR4, MC2R, HTR1D DRD4 277/4885DRD2 155/4885DRD3 270/4885

“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.