SCHEMBL607070

SCHEMBL607070

CCCNC1CCc2cc(OC)ccc2C1

nearest known ligand 0.90

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.90
DRD3 P35462 7/20 0.90
HTR1D P28221 2/20 0.67
HTR1B P28222 1/20 0.67
DRD4 P21917 3/20 0.59
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
ACHE P22303 4/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2B Q13224 1/20 0.57
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53

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
Hydrochloric Acid SCHEMBL11488842 0.99 DRD2 (0.87) DRD2DRD3HTR1DHTR1BDRD4
SCHEMBL8394614 0.94 DRD2 (1.00) DRD2DRD3HTR1DHTR1BDRD4
SCHEMBL2702018 0.94 DRD2 (1.00) DRD2DRD3HTR1DHTR1BDRD4
SCHEMBL2701521 0.94 DRD2 (1.00) DRD2DRD3HTR1DHTR1BDRD4
Hydrochloric Acid SCHEMBL6339640 0.93 DRD2 (0.97) DRD2DRD3HTR1DHTR1BDRD4
SCHEMBL11493562 0.89 DRD2 (0.71) DRD2DRD3HTR1DHTR1BDRD4
SCHEMBL8689197 0.88 DRD2 (0.79) DRD2DRD3HTR1DHTR1BDRD4
SCHEMBL9757841 0.87 DRD2 (0.86) DRD2DRD3HTR1DHTR1BDRD4
Hydrochloric Acid SCHEMBL11443133 0.87 DRD2 (0.69) DRD2DRD3HTR1DHTR1BDRD4
SCHEMBL6334450 0.82 DRD2 (0.78) DRD2DRD3HTR1DHTR1BDRD4

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 10 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
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
EP-0055043-B1 6,7,8,9-TETRAHYDRO-3H-BENZ(E)INDOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND INTERMEDIATES USED THEREIN, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE INDOLAMINE DERIVATIVES AYERST, MCKENNA AND HARRISON INC. (CA) 1985-01-23 EP disclosed
US-4454150-A 6,7,8,9-Tetrahydro-3H-benz(e)indol-7-amines and a method of dopamine receptor stimulation therewith AYERST, MCKENNA & HARRISON INC. (US) 1984-06-12 US disclosed
EP-0055043-A2 6,7,8,9-Tetrahydro-3H-benz(e)indolamine derivatives, processes for their preparation and intermediates used therein, and pharmaceutical compositions containing the indolamine derivatives AYERST, MCKENNA AND HARRISON INC. (CA) 1982-06-30 EP disclosed
EP-0041488-A1 Therapeutically useful tetralin derivatives Arvidsson, Folke Lars-Erik (SE) 1981-12-09 EP 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 DRD2 1686/4885DRD3 1126/4885HTR1D 1634/4885

“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.