SCHEMBL14303306

SCHEMBL14303306

Cc1cc(=O)oc2ccc3[nH]cc(CCN)c3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 10/20 0.46
▸ HTR1D P28221 8/20 0.46
▸ HTR1A P08908 5/20 0.44
▸ HTR2C P28335 4/20 0.44
▸ HTR2B P41595 2/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ HTR1B P28222 4/20 0.41
▸ SLC18A2 Q05940 2/20 0.40
▸ SLC18A1 P54219 1/20 0.40
▸ TRPM8 Q7Z2W7 4/20 0.40
▸ HTR7 P34969 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ HTR4 Q13639 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MPO P05164 1/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 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
SCHEMBL11493969 0.72 HTR2A (0.54) HTR2AHTR1DHTR1AHTR2CHTR2B
SCHEMBL25423069 0.72 HTR2A (0.44) HTR2AHTR1DHTR1AHTR2CHTR2B
SCHEMBL31077765 0.72 HTR2A (0.44) HTR2AHTR1DHTR1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL25424469 0.71 HTR2A (0.43) HTR2AHTR1DHTR1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL31440930 0.71 HTR2A (0.43) HTR2AHTR1DHTR1AHTR2CHTR2B
SCHEMBL4922401 0.71 ALDH1A1 (0.46) SLC18A2SLC18A1CYP1A2TSHRMAPT
SCHEMBL1587240 0.69 HTR2A (0.57) HTR2AHTR1DHTR1AHTR2CHTR1B
SCHEMBL4838821 0.69 GPR84 (0.69) HTR2AHTR1DHTR1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL7816598 0.69 HTR2A (0.58) HTR2AHTR1DHTR1AHTR2CHTR2B
SCHEMBL26965701 0.69 HTR2C (0.56) HTR2AHTR1DHTR1AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-07-25 — — US disclosed
US-8337941-B2 Fluorescent substrates for monoamine transporters as optical false neurotransmitters THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-12-25 — — US disclosed
WO-2008013997-A2 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-01-31 — — 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-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS SLC18A2, SLC6A2, SLC18A3 HTR2A 110/4885HTR1D 220/4885HTR1A 75/4885

“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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