SCHEMBL6203773

SCHEMBL6203773

N#CCC1CN(Cc2ccccc2)CCO1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 18/20 0.66
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
DRD2 P14416 4/20 0.57
DRD3 P35462 4/20 0.57
SIGMAR1 Q99720 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
SCHEMBL25081007 0.92 DRD4 (0.56) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7372946 0.87 DRD4 (0.72) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23115258 0.86 DRD4 (0.50) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17376540 0.84 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17376537 0.84 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL9581746 0.82 DRD4 (0.69) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2304936 0.82 DRD4 (0.73) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL735729 0.82 DRD4 (0.73) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7696047 0.82 DRD4 (0.73) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5748888 0.82 DRD4 (0.73) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867236-B1 NOVEL 4-(SUBSTITUTED-AMINO)-7H-PYRROLO[2,3-D]PYRIMIDINES AS LRRK2 INHIBITORS PFIZER (US) 2017-06-14 EP disclosed
US-9642855-B2 Substituted pyrrolo[2,3-d]pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2017-05-09 US disclosed
US-20150366874-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d]Pyrimidines As LRRK2 Inhibitors PFIZER INC. (US) 2015-12-24 US disclosed
US-9156845-B2 4-(substituted amino)-7H-pyrrolo[2,3-d] pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2015-10-13 US disclosed
EP-2867236-A1 NOVEL 4-(SUBSTITUTED-AMINO)-7H-PYRROLO[2,3-d]PYRIMIDINES AS LRRK2 INHIBITORS Pfizer Inc. (US) 2015-05-06 EP disclosed
WO-2014001973-A1 NOVEL 4-(SUBSTITUTED-AMINO)-7H-PYRROLO[2,3-d]PYRIMIDINES AS LRRK2 INHIBITORS PFIZER INC. (US) 2014-01-03 WO disclosed
US-20140005183-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d] Pyrimidines As LRRK2 Inhibitors PFIZER (US) 2014-01-02 US disclosed
WO-2012128582-A2 A COMPOUND FOR INHIBITING HUMAN 11-β-HYDROXY STEROID DEHYDROGENASE TYPE 1, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HYUNDAI PHARM CO., LTD. (KR) 2012-09-27 WO disclosed
WO-2012128582-A2 A COMPOUND FOR INHIBITING HUMAN 11-β-HYDROXY STEROID DEHYDROGENASE TYPE 1, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HYUNDAI PHARM CO., LTD. (KR) 2012-09-27 WO disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 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 (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-20150366874-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d]Pyrimidines As LRRK2 Inhibitors LRRK2, PARK7, BRCA1 DRD4 618/4885CYP1A2 3588/4885CYP3A4 3461/4885
US-20140005183-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d] Pyrimidines As LRRK2 Inhibitors LRRK2, PARK7, BRCA1 DRD4 618/4885CYP1A2 3588/4885CYP3A4 3461/4885

“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.