SCHEMBL2815036

SCHEMBL2815036

COc1ccc2c(c1)c1c(n2CCc2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
HTR6 P50406 8/20 0.43
HRH1 P35367 4/20 0.43
HTR1A P08908 2/20 0.43
SLC6A4 P31645 2/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ADRB2 P07550 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RGS12 O14924 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 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
SCHEMBL2810420 1.00 SIGMAR1 (0.45) SIGMAR1HTR6HRH1HTR1ASLC6A4
SCHEMBL13394760 0.94 SIGMAR1 (0.45) SIGMAR1HTR6HRH1HTR1ASLC6A4
SCHEMBL13394724 0.90 SIGMAR1 (0.49) SIGMAR1HTR6HRH1
SCHEMBL2814752 0.89 SIGMAR1 (0.42) SIGMAR1HTR6HRH1CYP3A4
SCHEMBL2815256 0.87 HTR6 (0.55) SIGMAR1HTR6HRH1HTR1ASLC6A4
SCHEMBL2809406 0.87 SIGMAR1 (0.47) SIGMAR1HTR6HRH1
SCHEMBL2811469 0.87 SIGMAR1 (0.47) SIGMAR1HTR6HRH1MEN1KMT2A
SCHEMBL2814557 0.87 SIGMAR1 (0.47) SIGMAR1HTR6HRH1MEN1KMT2A
SCHEMBL2815111 0.86 SIGMAR1 (0.46) SIGMAR1HTR6HRH1HTR1ASLC6A4
SCHEMBL2817375 0.86 SIGMAR1 (0.46) SIGMAR1HTR6HRH1HTR1ASLC6A4

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-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-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 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 SIGMAR1 556/4885HTR6 21/4885HRH1 457/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIGMAR1 556/4885HTR6 21/4885HRH1 457/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIGMAR1 556/4885HTR6 21/4885HRH1 457/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIGMAR1 556/4885HTR6 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.