SCHEMBL1012779

SCHEMBL1012779

c1ccc2c(c1)N=C1CNCCC12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.40
NOS3 P29474 3/20 0.40
NOS2 P35228 3/20 0.40
HTR2C P28335 7/20 0.36
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 3/20 0.34
HTR1A P08908 3/20 0.34
ADRA1A P35348 1/20 0.33
ADRB2 P07550 1/20 0.33
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL29357835 1.00 NOS1 (0.40) NOS1NOS3NOS2HTR2CSLC6A2
SCHEMBL1005903 0.90 NOS1 (0.41) NOS1NOS3NOS2HTR2CHTR1A
SCHEMBL29941060 0.73 JAK2 (0.37) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL9559207 0.73 NOS1 (0.47) NOS1NOS3NOS2HTR1AADRA1A
SCHEMBL30074503 0.71 NOS1 (0.50) NOS1NOS3NOS2HTR1AADRA1A
SCHEMBL145755 0.71 NOS1 (0.50) NOS1NOS3NOS2HTR1AADRA1A
SCHEMBL6004098 0.70 NOS1 (0.36) NOS1NOS3NOS2HTR1AADRA1A
SCHEMBL3272037 0.69 KDM4E (0.35) NOS1NOS3NOS2
SCHEMBL16115899 0.69 NOS1 (0.44) NOS1NOS3NOS2SIGMAR1
SCHEMBL3922142 0.69 NOS1 (0.40) NOS1NOS3NOS2ADRA1A

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023130070-A2 CARBOLINE COMPOUNDS AND USE THEREOF PTC THERAPEUTICS, INC. (US) 2023-07-06 WO claimed
US-20260053799-A1 COMPOUNDS FOR TREATING CANCER EVEXTA BIO (FR) 2026-02-26 US disclosed
US-20250041439-A1 ANTIBODY-DRUG CONJUGATES SPIREA LIMITED (GB) 2025-02-06 US disclosed
US-20240226073-A9 TETRAHYDRO-1H-PYRIDO[3,4-b]INDOLE ANTI-ESTROGENIC DRUGS OLEMA PHARMACEUTICALS, INC. 2024-07-11 US disclosed
US-20240226073-A9 TETRAHYDRO-1H-PYRIDO[3,4-b]INDOLE ANTI-ESTROGENIC DRUGS OLEMA PHARMACEUTICALS, INC. 2024-07-11 US disclosed
US-20240131013-A1 TETRAHYDRO-1H-PYRIDO[3,4-b]INDOLE ANTI-ESTROGENIC DRUGS OLEMA PHARMACEUTICALS INC (US) 2024-04-25 US disclosed
US-20240131013-A1 TETRAHYDRO-1H-PYRIDO[3,4-b]INDOLE ANTI-ESTROGENIC DRUGS OLEMA PHARMACEUTICALS INC (US) 2024-04-25 US disclosed
US-20240082274-A1 FUNGAL COMPOUND COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATION TURTLE BEAR HOLDINGS, LLC 2024-03-14 US disclosed
WO-2024033513-A1 COMPOUNDS FOR TREATING CANCER DIACCURATE (FR) 2024-02-15 WO disclosed
CN-112351984-B Tetrahydrobenzofuro [2.3-c ] pyridine and beta-carboline compounds for the treatment, alleviation or prevention of conditions associated with Tau aggregate AC免疫有限公司 2024-01-02 CN disclosed
US-20040167119-A1 2-(aminomethyl) arylamide analgesics PHARMACOPEIA, INC (US) 2004-08-26 US disclosed
WO-2004071445-A2 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-26 WO disclosed
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP disclosed
EP-1360186-A2 CARBOLINE DERIVATIVES Lilly Icos LLC (US) 2003-11-12 EP disclosed
EP-1350112-A2 METHODS FOR THE TREATMENT OF IBS Pharmagene Laboratories Ltd (GB) 2003-10-08 EP disclosed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO disclosed
WO-2002064591-A2 CARBOLINE DERIVATIVES LILLY ICOS LLC (US) 2002-08-22 WO disclosed
WO-2002056010-A2 METHODS FOR THE TREATMENT OF IBS PHARMAGENE LABORATORIES LTD (GB) 2002-07-18 WO disclosed
US-4719211-A PSYCHOLOGIAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-01-12 US disclosed
EP-0021857-A1 Indole derivatives, their preparation and therapeutical compositions containing them SYNTHELABO (FR) 1981-01-07 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 (6 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-20260053799-A1 COMPOUNDS FOR TREATING CANCER NCOA1, AR, ESR2 NOS1 250/4885NOS3 401/4885NOS2 309/4885
US-20240082274-A1 FUNGAL COMPOUND COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATION MAOB, TPSG1, TPSB2 NOS1 89/4885NOS3 106/4885NOS2 105/4885
US-20240131013-A1 TETRAHYDRO-1H-PYRIDO[3,4-b]INDOLE ANTI-ESTROGENIC DRUGS ESR1, CYP19A1, HSD17B11 NOS1 1059/4885NOS3 547/4885NOS2 1482/4885
US-20250041439-A1 ANTIBODY-DRUG CONJUGATES CD44, CD47, FCGR3B NOS1 4410/4885NOS3 4004/4885NOS2 4218/4885
US-20040167119-A1 2-(aminomethyl) arylamide analgesics OPRL1, OPRM1, OPRK1 NOS1 3346/4885NOS3 2799/4885NOS2 1947/4885
US-20240226073-A9 TETRAHYDRO-1H-PYRIDO[3,4-b]INDOLE ANTI-ESTROGENIC DRUGS ESR1, CYP19A1, HSD17B11 NOS1 1059/4885NOS3 547/4885NOS2 1482/4885

“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.