SCHEMBL604857

SCHEMBL604857

OCC1(c2cccc3ccccc23)CCCN1c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.40
SLC6A4 P31645 7/20 0.40
SLC6A2 P23975 6/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
NCF1 P14598 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
MTOR P42345 1/20 0.40
HTR3A P46098 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40
HTR3D Q70Z44 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
SCHEMBL604859 1.00 SLC6A3 (0.40) SLC6A3SLC6A4SLC6A2HTR3EHTR3B
SCHEMBL6695054 0.74 HTR7 (0.38) SLC6A3SLC6A4SLC6A2HTR1ATSHR
SCHEMBL6441275 0.74 HTR7 (0.38) SLC6A3SLC6A4SLC6A2HTR1ATSHR
SCHEMBL6695050 0.74 HTR7 (0.38) SLC6A3SLC6A4SLC6A2HTR1ATSHR
SCHEMBL2008405 0.69 AVPR1A (0.40) HTR3EHTR3BCYP1A2HTR1ACYP2D6
SCHEMBL15862743 0.68 SLC6A3 (0.68) SLC6A3SLC6A4SLC6A2CYP1A2KDM4E
SCHEMBL11874525 0.63 SLC6A2 (0.48) SLC6A3SLC6A4SLC6A2SIGMAR1KDM4E
SCHEMBL11870341 0.63 SLC6A2 (0.48) SLC6A3SLC6A4SLC6A2SIGMAR1KDM4E
SCHEMBL246216 0.63 CFB (0.39) SLC6A3SLC6A4SLC6A2CYP2D6TSHR
SCHEMBL29908655 0.63 CFB (0.39) SLC6A3SLC6A4SLC6A2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO disclosed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 SLC6A3 3982/4885SLC6A4 2681/4885SLC6A2 4293/4885

“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.