SCHEMBL6782174

SCHEMBL6782174

Cc1nc2ccc3c(c2o1)OC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)CO3

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.51
HTR1A P08908 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR2C P28335 4/20 0.42
HRH1 P35367 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
DRD2 P14416 2/20 0.41
HTR2B P41595 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL6906280 0.84 HTR1A (0.61) HTR2AHTR1ASMN1; SMN2ALDH1A1HTR2C
SCHEMBL6797367 0.81 HTR2A (0.43) HTR2AHTR1ASMN1; SMN2HTR2CHRH1
SCHEMBL6777242 0.80 HTR1A (0.42) HTR2AHTR1AHTR2CDRD2HTR2B
SCHEMBL6773488 0.79 ADRA2A (0.50) HTR1ADRD2
SCHEMBL11107203 0.76 ADRA2A (0.55) HTR2AHTR1ASMN1; SMN2HTR2CHRH1
SCHEMBL7038063 0.76 HTR2A (0.42) HTR2AHTR1ASMN1; SMN2HTR2CHRH1
Hydrochloric Acid SCHEMBL11104894 0.76 HTR2C (0.54) HTR2AHTR1ASMN1; SMN2HTR2CHRH1
SCHEMBL6321111 0.76 HTR2C (0.45) HTR2AHTR1ASMN1; SMN2ALDH1A1HTR2C
SCHEMBL6990695 0.75 DRD2 (0.48) HTR2ASMN1; SMN2HTR2CHRH1LMNA
SCHEMBL11107814 0.74 DRD2 (0.56) HTR2ASMN1; SMN2ALDH1A1HTR2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815448-B2 FOR THERAPY OF OGNITIVE DEFICITS DUE TO AGING, STROKE, HEAD TRAUMA, ALZHEIMER'S DISEASE OR OTHER NEURODEGENERATIVE DISEASES, OR SCHIZOPHRENIA; ANXIETY, AGGRESSION AND STRESS, AND FOR THE CONTROL OF VARIOUS PHYSIOLOGICAL PHENOMENA WYETH 2004-11-09 US claimed
US-20020193365-A1 Azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2002-12-19 US claimed
WO-2002090362-A1 AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE AS 5-HT1A ANTAGONISTS WYETH (US) 2002-11-14 WO claimed
US-20020193365-A1 Azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2002-12-19 US disclosed
WO-2002090362-A1 AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE AS 5-HT1A ANTAGONISTS WYETH (US) 2002-11-14 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-20020193365-A1 Azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists HTR1A, HTR5A, HTR1D HTR2A 7/4885HTR1A 1/4885SMN1; SMN2 964/4885

“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.