SCHEMBL6748972

SCHEMBL6748972

OCCN1CCN(c2ccccc2F)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
POLB P06746 1/20 0.61
TDP1 Q9NUW8 1/20 0.59
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
DRD3 P35462 2/20 0.58
DRD2 P14416 1/20 0.58
HTR6 P50406 1/20 0.57
LMNA P02545 2/20 0.56
KMT2A Q03164 2/20 0.56
MPI P34949 1/20 0.56
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
DRD4 P21917 1/20 0.54
HSD17B10 Q99714 1/20 0.54
DAO P14920 1/20 0.53

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
SCHEMBL11163280 0.90 SIGMAR1 (0.59) TSHRKDM4EALDH1A1POLBTDP1
SCHEMBL4256755 0.84 KDM4E (0.63) TSHRKDM4EALDH1A1POLBTDP1
SCHEMBL6751057 0.83 KDM4E (0.61) TSHRKDM4EALDH1A1POLBTDP1
SCHEMBL2092194 0.83 ALDH1A1 (0.61) TSHRKDM4EALDH1A1POLBTDP1
SCHEMBL8828353 0.81 CYP2D6 (0.63) TSHRKDM4EALDH1A1POLBTDP1
SCHEMBL5011481 0.81 CYP2D6 (0.67) TSHRKDM4EALDH1A1POLBCYP2D6
SCHEMBL9565812 0.81 DRD2 (0.79) KDM4EALDH1A1DRD3DRD2LMNA
SCHEMBL9536194 0.80 ADRA1B (0.54) DRD3DRD2HTR6MAPTNPSR1
SCHEMBL946834 0.80 SIGMAR1 (0.59) TSHRKDM4EALDH1A1POLBTDP1
SCHEMBL2095200 0.80 SIGMAR1 (0.59) TSHRKDM4EALDH1A1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 TSHR 386/4885KDM4E 3615/4885ALDH1A1 140/4885
US-20020028760-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof ADRA1D, ADRA1A, ADRB1 TSHR 673/4885KDM4E 3512/4885ALDH1A1 23/4885

“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.