SCHEMBL8062832

SCHEMBL8062832

CN1CCC2(CC1)COc1ccc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.48
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
AKR1B10 O60218 1/20 0.39
MAPT P10636 1/20 0.39
AKR1A1 P14550 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
DRD2 P14416 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
SCHEMBL13085623 0.88 S1PR5 (0.41) AKR1B1HTR2ASIGMAR1DRD2
SCHEMBL30974103 0.85 AKR1B1 (0.45) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL6927966 0.82 HTR1D (0.39) HTR1DHTR1BHTR2AMAPT
SCHEMBL3742950 0.78 HTR2C (0.46) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL12084199 0.78 OPRM1 (0.41) AKR1B1HTR2ADRD2
SCHEMBL8073186 0.78 TNKS (0.45) HTR2ASIGMAR1
SCHEMBL8353721 0.77 HTR1D (0.37) HTR1DHTR1BHTR2AMAPT
SCHEMBL13640842 0.77 CHRNA7 (0.41) AKR1B1HTR2AAKR1B10MAPTAKR1A1
SCHEMBL13640965 0.77 CHRNA7 (0.41) AKR1B1HTR2AAKR1B10MAPTAKR1A1
Hydrochloric Acid SCHEMBL2800247 0.77 HTR2C (0.44) AKR1B1AKR1B10MAPTAKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
US-6013652-A ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIHISTAMINES MERCK & CO., INC. (US) 2000-01-11 US disclosed
US-5962462-A COMPOUNDS WHICH INHIBIT THE ENTRY OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) INTO TARGET CELLS; DELAYING THE ONSET OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS). MERCK & CO., INC. (US) 1999-10-05 US disclosed
WO-1998025605-A1 SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO disclosed
EP-0702681-A1 SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS MERCK & CO. INC. (US) 1996-03-27 EP disclosed
WO-1994029309-A1 SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-12-22 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 AKR1B1 532/4885HTR1D 4803/4885HTR1B 4833/4885

“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.