SCHEMBL6964650

SCHEMBL6964650

Cc1ccc(N2CCNCC2)cc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.71
HTR7 P34969 5/20 0.54
HTR3E A5X5Y0 6/20 0.50
HTR3B O95264 6/20 0.50
HTR3A P46098 6/20 0.50
HTR3D Q70Z44 6/20 0.50
HTR3C Q8WXA8 6/20 0.50
SIGMAR1 Q99720 6/20 0.50
HTR5A P47898 1/20 0.50
HTR1A P08908 5/20 0.49
HTR1D P28221 2/20 0.46
HTR1B P28222 1/20 0.46
HTR2C P28335 2/20 0.46
ALDH1A1 P00352 1/20 0.46
THRB P10828 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL5238705 0.94 ADRB1 (0.63) ADRB1HTR7HTR3EHTR3BHTR3A
SCHEMBL1022323 0.86 ADRB1 (0.71) ADRB1HTR7HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL9743067 0.84 ADRB1 (0.69) ADRB1HTR7HTR3EHTR3BHTR3A
SCHEMBL12583478 0.83 ADRB1 (0.47) ADRB1ALDH1A1HTTMAPT
SCHEMBL19998610 0.83 HPGD (0.47) ADRB1ALDH1A1TP53HTTMAPT
SCHEMBL221254 0.83 ADRB1 (1.00) ADRB1HTR7HTR3EHTR3BHTR3A
SCHEMBL478208 0.83 ADRB1 (0.57) ADRB1HTR7HTR3EHTR3BHTR3A
SCHEMBL10151434 0.81 HPGD (0.50) ADRB1ALDH1A1THRBTP53HTT
SCHEMBL9881498 0.81 HPGD (0.50) ADRB1ALDH1A1THRBTP53HTT
Hydrochloric Acid SCHEMBL8318106 0.81 ADRB1 (0.55) ADRB1HTR7HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020210377-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 WO disclosed
WO-2020210383-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 WO disclosed
EP-3575294-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Les Laboratoires Servier (FR) 2019-12-04 EP disclosed
EP-3237406-B1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-02-06 EP disclosed
US-RE44205-E1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
EP-1189903-B1 NOVEL BENZO[F]NAPHTHYRIDINE, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-28 EP disclosed
US-6566362-B2 Use as topical antibiotics AVENTIS PHARMA S.A. (FR) 2003-05-20 US disclosed
US-20020137741-A1 Benzo[f]naphthyridine derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. (FR) 2002-09-26 US disclosed
EP-1189903-A1 NOVEL BENZO F]NAPHTHYRIDINE, PREPARATION AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2002-03-27 EP disclosed
WO-2001002396-A1 NOVEL BENZO[F]NAPHTHYRIDINE, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2001-01-11 WO 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-20020137741-A1 Benzo[f]naphthyridine derivatives, their preparation and compositions containing them KCNQ2, KCNQ1, KCNQ4 ADRB1 469/4885HTR7 1237/4885HTR3E 2221/4885

“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.