SCHEMBL7523663

SCHEMBL7523663

N#CC1(c2ccc(F)cc2F)CCN(CCCN)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 11/20 0.48
ADRA1D P25100 8/20 0.48
ADRA1B P35368 8/20 0.48
ADRA2A P08913 4/20 0.48
ADRA2B P18089 4/20 0.48
ADRA2C P18825 4/20 0.48
HRH1 P35367 4/20 0.48
OPRM1 P35372 1/20 0.42
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
KCNH2 Q12809 1/20 0.39

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
Hydrochloric Acid SCHEMBL7664074 0.99 ADRA1A (0.47) ADRA1AADRA1DADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL7662754 0.99 ADRA1A (0.47) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7662174 0.90 ADRA1A (0.51) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL8003105 0.85 ADRA1A (0.44) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7662448 0.84 OPRM1 (0.53) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7662404 0.84 OPRM1 (0.50) ADRA1AADRA1DADRA1BOPRM1
Hydrochloric Acid SCHEMBL7660460 0.83 OPRM1 (0.52) ADRA1AADRA1DADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL7668015 0.83 OPRM1 (0.52) ADRA1AADRA1DADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL7664062 0.83 OPRM1 (0.49) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL7655701 0.83 ADRA1A (0.47) ADRA1AADRA1DADRA1BADRA2AADRA2B

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
US-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 US claimed
US-6228870-B1 BENIGN PROSTATIC HYPERPLASIA; REDUCTION OF HYPOTENSION SIDE EFFECT MERCK & CO., INC. 2001-05-08 US claimed
US-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 US disclosed
US-6319932-B1 USEFUL FOR TREATING BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-11-20 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 US disclosed
US-6235759-B1 BENIGN PROSTATIC HYPERPLASIA; HYPOTENSIVE AGENTS MERCK & CO., INC. 2001-05-22 US disclosed
US-6228870-B1 BENIGN PROSTATIC HYPERPLASIA; REDUCTION OF HYPOTENSION SIDE EFFECT MERCK & CO., INC. 2001-05-08 US disclosed
WO-2000025782-A1 DIHYDROPYRIDINONES AND PYRROLINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
WO-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D ADRA1A 4/4885ADRA1D 3/4885ADRA1B 9/4885

“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.