SCHEMBL6772982

SCHEMBL6772982

Cc1nc2ccc3c(c2o1)OC(CN1CCC(n2c(=O)[nH]c4ccccc42)CC1)CO3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.60
HTR2C P28335 2/20 0.60
HTR1A P08908 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2B P41595 1/20 0.60
OPRM1 P35372 3/20 0.48
OPRK1 P41145 2/20 0.48
OPRL1 P41146 2/20 0.48
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
AKT1 P31749 2/20 0.45
AKT2 P31751 2/20 0.45

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
SCHEMBL6904652 0.85 HTR1A (0.64) DRD2HTR2CHTR1AHTR2AHTR2B
SCHEMBL11096796 0.81 DRD2 (0.61) DRD2HTR2CHTR1AHTR2AHTR2B
SCHEMBL11096050 0.80 DRD2 (0.62) DRD2HTR2CHTR1AHTR2AHTR2B
SCHEMBL9943304 0.80 DRD2 (0.61) DRD2HTR2CHTR1AHTR2AHTR2B
SCHEMBL11101398 0.80 DRD2 (0.62) DRD2HTR2CHTR1AHTR2AHTR2B
SCHEMBL11095945 0.80 DRD2 (0.62) DRD2HTR2CHTR1AHTR2AHTR2B
Hydrochloric Acid SCHEMBL11096032 0.79 DRD2 (0.61) DRD2HTR2CHTR1AHTR2AHTR2B
SCHEMBL11101393 0.79 DRD2 (0.59) DRD2HTR2CHTR1AHTR2AHTR2B
SCHEMBL6991016 0.78 DRD2 (0.60) DRD2HTR2CHTR1AHTR2AHTR2B
SCHEMBL6777242 0.77 HTR1A (0.42) DRD2HTR2CHTR1AHTR2AHTR2B

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-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 disclosed
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

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 DRD2 185/4885HTR2C 8/4885HTR1A 1/4885

“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.