SCHEMBL6582872

SCHEMBL6582872

Fc1cc(F)c(N2CCNCC2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
OPRL1 P41146 2/20 0.49
ADRB1 P08588 3/20 0.44
HTR7 P34969 2/20 0.43
ACLY P53396 1/20 0.43
HTR1A P08908 2/20 0.41
KDR P35968 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
HTR6 P50406 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL20668601 0.84 ADRB1 (0.50) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL21833201 0.84 ALDH1A1 (0.50) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL31342373 0.84 ALDH1A1 (0.62) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL11295489 0.84 ALDH1A1 (0.50) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL31342027 0.84 ALDH1A1 (0.50) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL24632626 0.84 ADRB1 (0.50) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL20521441 0.84 ALDH1A1 (0.50) ALDH1A1MAPTLMNAGAASMN1; SMN2
Hydrochloric Acid SCHEMBL20521636 0.83 ALDH1A1 (0.49) ALDH1A1MAPTLMNAGAASMN1; SMN2
Hydrochloric Acid SCHEMBL21832573 0.83 ALDH1A1 (0.49) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL10329748 0.82 ADRB1 (0.52) ALDH1A1MAPTLMNAGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103172635-B Piperazine or piperidines, its salt, intermediate, preparation method and application SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-04-27 CN disclosed
US-RE44205-E1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-RE44205-E1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
EP-1622880-B1 SUBSTITUTED DIHYDROCHINAZOLINES HAVING ANTIVIRAL PROPERTIES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
EP-1200406-B1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI CHEM PHARM (IT) 2004-11-24 EP disclosed
US-20040106623-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2004-06-03 US disclosed
US-6706716-B2 NERVOUS SYSTEM DISORDERS; HYPOTENSIVE AGENTS; INCONTINENCE SYNAPTIC PHARMACEUTICAL CORPORATION 2004-03-16 US disclosed
EP-1200406-A1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-05-02 EP disclosed
US-20020028760-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof H. LUNDBECK A/S (DK) 2002-03-07 US disclosed
EP-1100794-A1 COMPOUNDS SPECIFIC FOR THE HUMAN $g(a) 1d? ADRENERGIC RECEPTOR AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2001-05-23 EP disclosed
WO-2001005765-A1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-01-25 WO disclosed
WO-2000004012-A9 COMPOUNDS SPECIFIC FOR THE HUMAN α1d ADRENERGIC RECEPTOR AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2000-10-26 WO disclosed
WO-2000004012-A1 COMPOUNDS SPECIFIC FOR THE HUMAN α1d ADRENERGIC RECEPTOR AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-01-27 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 (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-20040106623-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof ADRA1D, ADRA1A, ADRB1 ALDH1A1 140/4885MAPT 2374/4885LMNA 2110/4885
US-20020028760-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof ADRA1D, ADRA1A, ADRB1 ALDH1A1 23/4885MAPT 1567/4885LMNA 1202/4885

“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.