SCHEMBL2810320

SCHEMBL2810320

COc1ccc2c(c1)c1c(n2CCc2cccc(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.45
HTR6 P50406 8/20 0.42
HRH1 P35367 2/20 0.42
SIGMAR1 Q99720 2/20 0.41
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
SSTR1 P30872 1/20 0.38
SSTR2 P30874 1/20 0.38
SSTR4 P31391 1/20 0.38
SSTR3 P32745 1/20 0.38
MCHR1 Q99705 1/20 0.37
LMNA P02545 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL2810599 1.00 ADRB2 (0.45) ADRB2HTR6HRH1SIGMAR1POLB
SCHEMBL2815833 0.88 HTR6 (0.44) HTR6HRH1SIGMAR1TP53MCHR1
SCHEMBL2817034 0.88 HTR6 (0.44) HTR6HRH1SIGMAR1TP53MCHR1
SCHEMBL2811872 0.88 HTR6 (0.44) HTR6HRH1SIGMAR1TP53MCHR1
SCHEMBL2815036 0.82 SIGMAR1 (0.45) ADRB2HTR6HRH1SIGMAR1POLB
SCHEMBL2810420 0.82 SIGMAR1 (0.45) ADRB2HTR6HRH1SIGMAR1POLB
SCHEMBL2813575 0.79 SIGMAR1 (0.42) HTR6HRH1SIGMAR1
SCHEMBL2814894 0.79 HTR6 (0.44) HTR6HRH1SIGMAR1MCHR1
SCHEMBL2815256 0.79 HTR6 (0.55) HTR6HRH1SIGMAR1
SCHEMBL2812965 0.79 HTR6 (0.44) HTR6HRH1SIGMAR1POLBMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9983218-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2018-05-29 US claimed
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC. (US) 2018-01-25 US claimed
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2015-12-10 US claimed
US-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 US claimed
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-08 US claimed
US-9983218-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2018-05-29 US disclosed
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC. (US) 2018-01-25 US disclosed
US-9625475-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2017-04-18 US disclosed
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2015-12-10 US disclosed
US-9063126-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2015-06-23 US disclosed
US-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-08 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 (4 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-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 ADRB2 122/4885HTR6 21/4885HRH1 457/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 ADRB2 122/4885HTR6 21/4885HRH1 457/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 ADRB2 122/4885HTR6 21/4885HRH1 457/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 ADRB2 122/4885HTR6 21/4885HRH1 457/4885

“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.