SCHEMBL7853609

SCHEMBL7853609

COCO[C@H]1CCN([C@H](O)Cc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ADRA2A P08913 5/20 0.38
▸ HTR2A P28223 5/20 0.38
▸ ADRA1A P35348 5/20 0.38
▸ GRIN2B Q13224 5/20 0.38
▸ HTR2B P41595 4/20 0.38
▸ GRIN1 Q05586 3/20 0.38
▸ SIGMAR1 Q99720 3/20 0.38
▸ GRIN2D O15399 2/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ GRIN2A Q12879 2/20 0.38
▸ GRIN2C Q14957 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38

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
SCHEMBL7991452 1.00 REN (0.39) RENHRH3ADRA2AHTR2AADRA1A
SCHEMBL7974540 1.00 REN (0.39) RENHRH3ADRA2AHTR2AADRA1A
SCHEMBL6974165 0.78 OPRL1 (0.42) HRH3ADRA2AADRA1AHTR1ALMNA
SCHEMBL6974169 0.78 OPRL1 (0.42) HRH3ADRA2AADRA1AHTR1ALMNA
SCHEMBL8508323 0.78 OPRL1 (0.42) HRH3ADRA2AADRA1AHTR1ALMNA
SCHEMBL6979034 0.78 OPRL1 (0.42) HRH3ADRA2AADRA1AHTR1ALMNA
SCHEMBL7872456 0.78 OPRL1 (0.42) HRH3ADRA2AADRA1AHTR1ALMNA
SCHEMBL7352491 0.76 REN (0.51) REN
SCHEMBL7352495 0.76 REN (0.51) REN
SCHEMBL7987714 0.76 IDO1 (0.39) ADRA1AGRIN2BGRIN1GRIN2DGRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303602-B1 USEFUL AS ANALGESIC, ANESTHETIC, ANTI-INFLAMMATORY OR NEUROPROTECTIVE AGENT, OR FOR THERAPY OF ARTHRITIS, STROKE OF FUNCTIONAL BOWEL DISEASE PFIZER INC. 2001-10-16 — — US disclosed
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists ITO FUMITAKA (JP) 2001-09-06 — — US 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-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists OPRK1, OPRL1, OPRD1 REN 2314/4885HRH3 7/4885ADRA2A 12/4885

“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.

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