SCHEMBL7368320

SCHEMBL7368320

NCC1CN(Cc2ccccc2)CCCO1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.59
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 1/20 0.53
DRD2 P14416 4/20 0.52
DRD3 P35462 4/20 0.52
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL2768536 0.91 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1759405 0.91 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1502000 0.91 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10319583 0.91 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL10670770 0.90 DRD4 (0.69) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3443710 0.87 DRD4 (0.61) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13229950 0.85 DRD4 (0.59) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5619541 0.83 POLB (0.56) DRD4
SCHEMBL8325714 0.83 DRD4 (0.60) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25081007 0.82 DRD4 (0.56) DRD4CYP1A2CYP3A4CYP2D6CYP2C9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2009104729-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME 大日本住友製薬株式会社 (JP) 2009-08-27 WO disclosed
US-5561139-A IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1996-10-01 US disclosed
US-5530120-A ANALOGS OF ASCOMYCIN AND FK-506 AS IMMUNOSUPPRESSANTS AND-MODULATORS; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1996-06-25 US disclosed
WO-1994021634-A1 SUBSTITUTED ALICYCLIC-ALIPHATIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO 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 (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-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HTR4, MC2R, HTR1D DRD4 277/4885CYP1A2 1665/4885CYP3A4 1068/4885

“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.